UCSF

ZINC59817301

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 11 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) 1.55 4.62 -33.87 1 2 1 14 158.265 4
Hi High (pH 8-9.5) 1.55 3.06 -1.94 0 2 0 12 157.257 4

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Rings

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