UCSF

ZINC37899361

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 15 No

CAS Numbers: 1216330-09-4 , 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) -0.33 0.94 -7.12 4 5 0 82 209.249 4
Lo Low (pH 4.5-6) -0.33 0.07 -27.78 5 5 1 84 210.257 4
Lo Low (pH 4.5-6) -0.33 -0.06 -31.28 5 5 1 84 210.257 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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