UCSF

ZINC41155939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 1.72 4.03 -49.9 3 4 1 47 269.438 6
Mid Mid (pH 6-8) 1.72 5.8 -136.45 4 4 2 48 270.446 6

Activity (Go SEA)

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