UCSF

ZINC01712446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 2.50 1.53 -6.08 0 1 0 17 160.216 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 114-118?/7mm Alfa-Aesar
Boiling_Point 114-118°/7mm Alfa-Aesar
BP 115 / 6.8 TCI
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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