UCSF

ZINC42765405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.51 7.11 -49.02 2 3 1 48 287.305 6
Mid Mid (pH 6-8) 2.51 5.34 -8.96 1 3 0 47 286.297 6

Activity (Go SEA)

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