UCSF

ZINC01627238

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 1.90 6.81 -9.65 0 3 0 43 198.605 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 134-136?/12mm Alfa-Aesar
Boiling_Point 134-136°/12mm Alfa-Aesar
BP 135 / 12 TCI
Melting_Point 47-50? Alfa-Aesar
Melting_Point 47-50° Alfa-Aesar
MP 49 TCI

Activity (Go SEA)

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

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