UCSF

ZINC19792500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.50 10.71 -104.11 2 3 2 18 296.499 6
Mid Mid (pH 6-8) 3.50 10.05 -32.29 1 3 1 17 295.491 6
Mid Mid (pH 6-8) 3.50 8.71 -25.35 1 3 1 17 295.491 6

Activity (Go SEA)

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