UCSF

ZINC43418199

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 No

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) 1.01 5.49 -37.24 3 3 1 40 233.401 9
Mid Mid (pH 6-8) 1.01 3.36 -6.95 2 3 0 38 232.393 9

Activity (Go SEA)

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