UCSF

ZINC39221738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 0.34 1.73 -47.14 4 5 1 71 236.295 1
Mid Mid (pH 6-8) 0.34 -0.65 -11.3 3 5 0 70 235.287 1

Activity (Go SEA)

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