UCSF

ZINC34717521

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 17 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) 1.10 5.39 -34.06 4 4 1 68 233.339 2
Mid Mid (pH 6-8) 1.10 6.46 -6.8 3 4 0 66 232.331 2

Activity (Go SEA)

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