UCSF

ZINC44659818

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 0.46 1.3 -44.29 4 4 1 66 217.333 8
Mid Mid (pH 6-8) 0.46 0.97 -8.54 3 4 0 64 216.325 8

Activity (Go SEA)

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