UCSF

ZINC21813090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 Yes

CAS Numbers: 1040026-00-3 , 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) 1.13 1.43 -46.8 4 5 1 77 278.785 5
Hi High (pH 8-9.5) 1.13 -1.1 -10.25 3 5 0 75 277.777 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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