UCSF

ZINC19737000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 25 Yes

CAS Number: 1040692-49-6

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) 3.49 11.49 -107.36 3 3 2 24 339.527 8
Mid Mid (pH 6-8) 3.49 10.95 -87.76 3 3 2 24 339.527 8
Mid Mid (pH 6-8) 3.49 9.17 -39.03 2 3 1 23 338.519 8

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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