UCSF

ZINC00001460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

CAS Number: 3900-31-0

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) 2.85 -0.5 -9.84 0 3 0 32 302.736 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.44e-02 g/l DrugBank-approved
Patent Database Links EP1867641; US2004142904 ChEBI

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

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