UCSF

ZINC42437384

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 2.14 4.72 -38.02 3 2 1 31 227.759 5
Lo Low (pH 4.5-6) 2.14 6.69 -123.3 4 2 2 32 228.767 5

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Rings

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