UCSF

ZINC00147855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 Yes

CAS Number: 99842-19-0

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) 0.10 0.63 -60.95 3 7 -1 129 285.301 6
Lo Low (pH 4.5-6) 0.10 -1.34 -24.1 4 7 0 127 286.309 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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