UCSF

ZINC22023231

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 4.47 11.98 -37.25 1 2 1 17 295.45 5
Lo Low (pH 4.5-6) 4.47 12.42 -106.16 2 2 2 19 296.458 5

Activity (Go SEA)

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