UCSF

ZINC41680255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) -0.31 6.12 -37.16 3 4 1 51 264.393 7
Mid Mid (pH 6-8) -0.31 6.45 -91.81 4 4 2 52 265.401 7

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Rings

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