UCSF

ZINC49398122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) 0.72 1.2 -45.58 4 6 1 94 300.404 6
Hi High (pH 8-9.5) 0.72 -1.02 -14.68 3 6 0 93 299.396 6

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Rings

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