UCSF

ZINC40423555

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 23 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) 1.38 5.97 -47.3 4 5 1 77 338.859 6
Mid Mid (pH 6-8) 1.38 5.65 -17.71 3 5 0 75 337.851 6

Activity (Go SEA)

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