UCSF

ZINC19405594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 Yes

CAS Numbers: 1016750-52-9 , N/A

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) 1.72 3.95 -45 3 3 1 44 194.302 5
Mid Mid (pH 6-8) 1.72 4.39 -97.99 4 3 2 45 195.31 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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