UCSF

ZINC45045930

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 18 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) 3.53 8.12 -33.47 2 2 1 16 247.406 5
Mid Mid (pH 6-8) 3.53 6.96 -37.42 2 2 1 20 247.406 5
Lo Low (pH 4.5-6) 3.53 9.29 -110.91 3 2 2 21 248.414 5

Activity (Go SEA)

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