UCSF

ZINC01680758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 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) 4.58 1.92 -8.04 0 1 0 17 232.282 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 216-216?/7mm Alfa-Aesar
Boiling_Point 216-216°/7mm Alfa-Aesar
BP 225 / 8 TCI
Mp [°C] 76 - 82 Acros Organics
Melting_Point 80-82? Alfa-Aesar
Melting_Point 80-82° Alfa-Aesar
MP 82 TCI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.