UCSF

ZINC37335789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 3.40 9.18 -42.73 1 2 1 22 285.205 5
Mid Mid (pH 6-8) 3.40 7.2 -7.53 0 2 0 20 284.197 5

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Rings

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