UCSF

ZINC18205257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 16 No

Popular Name: Sodium (2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl phosphate Sodium (2R,3R,4S)-2,3,4,6-tetrah…

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CAS Number: 26177-86-6

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.31 -7.3 -140.14 4 9 -2 170 258.119 7 ↓
Ref Reference (pH 7) -4.15 -6.63 -139.94 4 9 -2 170 258.119 7 ↓
Ref Reference (pH 7) -3.31 -4.55 -140.25 4 9 -2 170 258.119 7 ↓
Ref Reference (pH 7) -4.15 -5.49 -140.31 4 9 -2 170 258.119 7 ↓
Hi High (pH 8-9.5) -4.15 -6.47 -202.67 3 9 -3 173 257.111 7 ↓
Hi High (pH 8-9.5) -4.15 -4.74 -202.93 3 9 -3 173 257.111 7 ↓
Hi High (pH 8-9.5) -4.15 -6.17 -202.93 3 9 -3 173 257.111 7 ↓
Hi High (pH 8-9.5) -4.15 -5.88 -203.1 3 9 -3 173 257.111 7 ↓
Hi High (pH 8-9.5) -4.15 -6.2 -202.86 3 9 -3 173 257.111 7 ↓
Mid Mid (pH 6-8) -4.15 -8.77 -64.53 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -3.31 -7.41 -51.05 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -3.31 -5.7 -51.12 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -3.31 -8.46 -51.17 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -4.15 -8.11 -52.32 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -3.31 -7.42 -51.18 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -4.15 -8.38 -52.68 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -4.15 -7.78 -52.15 5 9 -1 168 259.127 7 ↓
Mid Mid (pH 6-8) -4.15 -6.65 -52.52 5 9 -1 168 259.127 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.17e+01 g/l DrugBank-experimental
UniProt Database Links ALSE_ECOLI; RPIB_ECOLI ChEBI
UniProt Database Links ALSK_ECOLI; RPIB_ECOLI; RPIB_MYCTU ChEBI
UniProt Database Links GATD_ECO57; GATD_ECOLI ChEBI
UniProt Database Links LACA1_STRA3; LACA1_STRP1; LACA1_STRP3; LACA1_STRP6; LACA1_STRP8; LACA1_STRPM; LACA1_STRPQ; LACA2_STRA3; LACA2_STRP1; LACA2_STRP3; LACA2_STRP6; LACA2_STRP8; LACA2_STRPM; LACA2_STRPQ; LACA_CLOAB; LACA_CLOPE; LACA_ENTFA; LACA_LACLL; LACA_STAA1; LACA_STAA2; L ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.