UCSF

ZINC37860226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) 2.07 6.78 -128.52 4 4 2 50 293.455 8
Mid Mid (pH 6-8) 2.07 5.42 -38.93 3 4 1 46 292.447 8

Activity (Go SEA)

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