UCSF

ZINC33710125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 15 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) 0.32 3.66 -48.97 3 3 1 46 273.15 1
Hi High (pH 8-9.5) 0.32 3.42 -4.87 2 3 0 44 272.142 1

Activity (Go SEA)

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