UCSF

ZINC44101615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 4.24 8.46 -36.83 2 3 1 35 286.395 7
Hi High (pH 8-9.5) 4.24 7.66 -4.67 1 3 0 30 285.387 7

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