UCSF

ZINC00114118

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

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) 1.69 4.9 -7.32 0 3 0 39 179.219 1

Vendor Notes

Note Type Comments Provided By
BP 132 / 17 TCI
Boiling_Point 162-163?/12mm Alfa-Aesar
Boiling_Point 162-163°/12mm Alfa-Aesar
Melting_Point 87-91? Alfa-Aesar
Melting_Point 87-91° Alfa-Aesar
MP 88 TCI
Melting_Point 89-91? Alfa-Aesar
Melting_Point 89-91° Alfa-Aesar

Activity (Go SEA)

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