UCSF

ZINC42436632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 2.59 6.95 -42.44 2 2 1 26 242.77 7
Hi High (pH 8-9.5) 2.59 5.94 -2.94 1 2 0 21 241.762 7

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Rings

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