UCSF

ZINC40182781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.60 13.79 -24.6 0 8 0 77 510.594 7
Mid Mid (pH 6-8) 3.60 14.29 -50.65 1 8 1 78 511.602 7

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