UCSF

ZINC01532584

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 16 No

Popular Name: Prephenate Prephenate

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CAS Numbers: 126-49-8 , 2931-08-0

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) -1.43 2.08 -118.87 1 6 -2 118 224.168 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.60e+01 g/l DrugBank-experimental
UniProt Database Links CHMU_ENTAG; CHMU_MYCS2; CHMU_MYCTU; CHMU_PSEAE; CHMU_SALTM; CHMU_SCHPO; CHMU_YEAST; CM1_ARATH; CM2_ARATH; CM3_ARATH; NOVF_STRNV; PAT_ARATH; PAT_PETHY; PAT_PINPS; PHA2_SCHPO; PHA2_YEAST; PHEA_AMYME; PHEA_AQUAE; PHEA_BACSU; PHEA_BUCAI; PHEA_BUCAP; PHEA_BUCB ChEBI
Patent Database Links WO2007105203 ChEBI

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

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