UCSF

ZINC44712980

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) 1.11 1.15 -8.62 3 3 0 55 147.181 0
Mid Mid (pH 6-8) 1.11 1.58 -26.33 4 3 1 56 148.189 0

Activity (Go SEA)

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