UCSF

ZINC59843610

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 14 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) -0.64 -0.64 -37.42 3 4 1 58 217.314 6
Mid Mid (pH 6-8) -0.64 -2.92 -8.33 2 4 0 57 216.306 6

Activity (Go SEA)

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