UCSF

ZINC08101072

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 31 Yes

Popular Name: 174 174

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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) -5.51 -12.91 -425 19 13 5 256 456.561 6 ↓
Hi High (pH 8-9.5) -5.51 -13.9 -121.88 16 13 2 251 453.537 6 ↓
Hi High (pH 8-9.5) -5.51 -13.58 -100.56 16 13 2 251 453.537 6 ↓
Mid Mid (pH 6-8) -5.51 -12.86 -274.57 18 13 4 254 455.553 6 ↓
Mid Mid (pH 6-8) -5.51 -13.33 -309.31 18 13 4 254 455.553 6 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.522 Bitter DB

Activity (Go SEA)

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