UCSF

ZINC37201976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.68 6.43 -46.85 2 4 1 53 276.404 9
Mid Mid (pH 6-8) 2.68 7.44 -39.39 2 4 1 49 276.404 9

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Rings

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