UCSF

ZINC49020356

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 32 No

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) 0.38 0.62 -252.28 4 15 -3 241 512.354 10
Mid Mid (pH 6-8) 0.39 -0.53 -131.56 5 15 -2 238 513.362 10

Activity (Go SEA)

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