UCSF

ZINC44517936

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.73 8.64 -82.35 2 5 0 74 296.411 5
Mid Mid (pH 6-8) 1.73 6.48 -48.1 3 5 1 71 297.419 5

Activity (Go SEA)

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