UCSF

ZINC02573759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 12 Yes

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) -0.37 1.03 -43.2 3 3 1 50 167.232 5
Lo Low (pH 4.5-6) -0.37 1.31 -89.78 4 3 2 51 168.24 5

Vendor Notes

Note Type Comments Provided By
BP 168-170°/5 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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