UCSF

ZINC19171628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 17 No

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) 3.33 7.29 -2.43 2 2 0 29 291.192 4
Mid Mid (pH 6-8) 3.33 7.08 -45.38 3 2 1 31 292.2 4
Mid Mid (pH 6-8) 3.33 8.79 -40.29 3 2 1 30 292.2 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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