UCSF

ZINC24477417

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 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) 2.66 7.58 -16.8 1 4 0 47 273.38 5
Mid Mid (pH 6-8) 2.66 8 -37.31 2 4 1 48 274.388 5

Activity (Go SEA)

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