UCSF

ZINC21786913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 5.33 12.05 -48.48 2 1 1 17 286.414 7
Mid Mid (pH 6-8) 5.33 10.78 -3.18 1 1 0 12 285.406 7

Activity (Go SEA)

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