UCSF

ZINC59233845

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 14 Yes

CAS Numbers: 1155005-40-5 , 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) 3.34 6.03 -3.25 2 2 0 29 192.306 4
Mid Mid (pH 6-8) 3.34 6.47 -14.17 3 2 0 30 193.314 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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