UCSF

ZINC40181202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 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) 1.09 7.76 -11.7 0 6 0 60 338.411 7
Mid Mid (pH 6-8) 1.09 8.68 -35.07 1 6 1 62 339.419 7

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