UCSF

ZINC00006428

Substance Information

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

CAS Number: 57-27-2

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) 1.10 2.44 -48.31 3 4 1 54 286.351 0
Hi High (pH 8-9.5) 1.10 0.39 -9.53 2 4 0 53 285.343 0

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

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