UCSF

ZINC04249040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 24 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) 3.48 -0.33 -23.11 1 4 0 46 339.395 3
Mid Mid (pH 6-8) 3.48 -0.08 -31.93 2 4 1 48 340.403 3

Activity (Go SEA)

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