UCSF

ZINC35732016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 1.39 5.5 -52.51 0 5 -1 76 247.274 7
Mid Mid (pH 6-8) 1.39 7.9 -86.97 1 5 0 78 248.282 7

Activity (Go SEA)

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