UCSF

ZINC20246698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 25 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) 3.45 10.97 -31.41 1 4 1 34 339.459 7
Mid Mid (pH 6-8) 3.45 11.41 -39.95 1 4 1 34 339.459 7
Mid Mid (pH 6-8) 3.45 9.03 -6.11 0 4 0 33 338.451 7

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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