UCSF

ZINC44676171

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 3.08 6.92 -125.94 5 2 2 44 234.387 6
Mid Mid (pH 6-8) 3.08 6.71 -39.32 4 2 1 43 233.379 6

Activity (Go SEA)

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