UCSF

ZINC04880153

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 17 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) 1.37 3.29 -36.18 2 7 -1 107 228.191 2
Lo Low (pH 4.5-6) 0.92 4.47 -13.33 3 7 0 104 229.199 2
Lo Low (pH 4.5-6) 1.37 3.8 -32.83 3 7 0 108 229.199 2

Activity (Go SEA)

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