UCSF

ZINC02579101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 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) 3.61 6.17 -1.64 0 0 0 0 257.997 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 38-41? Alfa-Aesar
Melting_Point 38-41° Alfa-Aesar
Boiling_Point 96-97?/10mm Alfa-Aesar
Boiling_Point 96-97°/10mm Alfa-Aesar

Activity (Go SEA)

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

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