UCSF

ZINC52575600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 13 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) 1.17 7.65 -98.69 3 3 2 36 183.299 6
Mid Mid (pH 6-8) 1.17 6.95 -49.25 2 3 1 34 182.291 6

Activity (Go SEA)

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