UCSF

ZINC55033581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 17 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) 1.36 2.85 -34.23 3 3 1 46 246.277 6
Hi High (pH 8-9.5) 1.36 1.58 -5.78 2 3 0 41 245.269 6

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Rings

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