UCSF

ZINC40829693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) -0.17 5.27 -40.4 4 4 1 60 276.404 5
Mid Mid (pH 6-8) -0.17 5.59 -94.9 5 4 2 61 277.412 5

Activity (Go SEA)

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