UCSF

ZINC16663148

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 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) 1.50 5.94 -37.36 2 3 1 29 234.367 5
Lo Low (pH 4.5-6) 1.51 7.43 -182.88 4 3 3 35 236.383 5
Lo Low (pH 4.5-6) 1.50 6.39 -77.45 3 3 2 31 235.375 5

Activity (Go SEA)

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