UCSF

ZINC22465051

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 2.88 7.84 -45.54 2 4 1 37 325.411 3
Hi High (pH 8-9.5) 2.88 6.42 -8.88 1 4 0 33 324.403 3
Lo Low (pH 4.5-6) 2.88 8.25 -84.9 3 4 2 38 326.419 3

Activity (Go SEA)

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