UCSF

ZINC04854761

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 22 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) 0.62 2.37 -17.68 2 7 0 80 303.318 3
Lo Low (pH 4.5-6) 0.24 0.64 -52.15 3 7 1 85 304.326 3

Activity (Go SEA)

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