UCSF

ZINC13119456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.73 9 -7.9 1 4 0 49 339.483 6
Mid Mid (pH 6-8) 3.73 10.87 -48.03 2 4 1 50 340.491 6

Activity (Go SEA)

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