UCSF

ZINC34674237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 20 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) 1.68 5.42 -40.51 2 4 1 52 274.388 5
Mid Mid (pH 6-8) 1.68 3.15 -7.15 1 4 0 50 273.38 5

Activity (Go SEA)

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