UCSF

ZINC22029046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) 0.44 4.12 -83.48 3 3 2 24 199.342 2
Hi High (pH 8-9.5) 0.44 2.7 -34.43 2 3 1 20 198.334 2

Vendor Notes

Note Type Comments Provided By
BP 76-78°/0.2mm Oakwood Chemical

Activity (Go SEA)

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