UCSF

ZINC19737840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 Yes

CAS Number: 1040689-60-8

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) 4.48 7.82 -35.21 2 2 1 26 236.379 6
Hi High (pH 8-9.5) 4.48 6.56 -2.19 1 2 0 21 235.371 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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