UCSF

ZINC41731142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 12 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) -0.66 4.85 -30.42 2 3 0 57 169.224 5
Mid Mid (pH 6-8) -0.66 3.67 -45.36 1 3 -1 52 168.216 5

Activity (Go SEA)

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