UCSF

ZINC44420846

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 15 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) 1.87 5.55 -8.1 1 4 0 51 208.261 5
Mid Mid (pH 6-8) 1.87 6.11 -30.35 2 4 1 52 209.269 5

Activity (Go SEA)

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