UCSF

ZINC01038873

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 4.48 10 -7.92 0 1 0 13 231.298 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 210?/3mm Alfa-Aesar
Boiling_Point 210°/3mm Alfa-Aesar
BP 398 TCI
Melting_Point 74-81? Alfa-Aesar
Melting_Point 74-81° Alfa-Aesar
MP 82 TCI

Activity (Go SEA)

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