UCSF

ZINC38596385

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

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) 3.68 11.48 -57.1 0 5 -1 60 323.401 0
Mid Mid (pH 6-8) 2.96 11.39 -14.75 1 5 0 63 324.409 0

Activity (Go SEA)

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