UCSF

ZINC41204382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 4.05 10.03 -29.38 2 3 1 43 324.491 8
Mid Mid (pH 6-8) 4.05 9.11 -5.52 1 3 0 38 323.483 8

Activity (Go SEA)

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