UCSF

ZINC43906146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.52 9.79 -115.68 3 3 2 34 274.408 7
Mid Mid (pH 6-8) 3.52 7.63 -38.78 2 3 1 33 273.4 7
Mid Mid (pH 6-8) 3.52 8.64 -38.51 2 3 1 30 273.4 7

Activity (Go SEA)

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