UCSF

ZINC28118087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 22 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) -0.49 7.06 -88.4 2 4 2 41 296.37 0
Mid Mid (pH 6-8) -0.49 4.59 -30.5 1 4 1 40 295.362 0
Mid Mid (pH 6-8) 3.10 5.49 -10.02 0 4 0 37 294.354 1

Activity (Go SEA)

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