UCSF

ZINC37825541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.75 6.28 -61.95 3 5 1 96 271.344 7
Mid Mid (pH 6-8) -0.75 5.95 -17.22 2 5 0 94 270.336 7

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Rings

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