UCSF

ZINC17041057

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 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) 2.65 5.44 -8.43 1 4 0 45 287.388 2
Mid Mid (pH 6-8) 2.65 8.17 -48.03 2 4 1 46 288.396 2

Activity (Go SEA)

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