UCSF

ZINC40854222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 No

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) 0.43 1.89 -48.68 4 5 1 75 266.346 3
Mid Mid (pH 6-8) 0.43 0.51 -17.9 3 5 0 70 265.338 3

Activity (Go SEA)

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