UCSF

ZINC22592826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 24 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) -0.25 3.54 -42.01 3 8 0 104 337.376 7
Lo Low (pH 4.5-6) -0.25 4.88 -103.34 4 8 1 109 338.384 7

Activity (Go SEA)

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