UCSF

ZINC05199233

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 2.15 3.22 -9.73 1 4 0 51 228.251 3
Lo Low (pH 4.5-6) 2.15 3.94 -35.74 2 4 1 52 229.259 3

Activity (Go SEA)

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