UCSF

ZINC42458626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.85 2.55 -46.03 3 3 1 40 227.303 6
Lo Low (pH 4.5-6) 0.85 4.56 -120.97 4 3 2 41 228.311 6

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Rings

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