UCSF

ZINC67723143

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 21 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) 0.46 -0.5 -11.05 5 5 0 96 292.379 6
Mid Mid (pH 6-8) 0.46 -0.2 -47.58 6 5 1 97 293.387 6

Activity (Go SEA)

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