UCSF

ZINC33499758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 15 Yes

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) 1.52 1.78 -44.81 3 3 1 46 206.265 0
Hi High (pH 8-9.5) 1.52 0.52 -5.5 2 3 0 41 205.257 0

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

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