UCSF

ZINC48940243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 1.74 2.46 -12.78 2 6 0 84 271.305 3
Mid Mid (pH 6-8) 1.74 2.33 -43.54 1 6 -1 82 270.297 3

Activity (Go SEA)

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