UCSF

ZINC01571069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 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) -0.35 3.38 -48.14 1 3 1 37 141.194 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 106-109?/7mm Alfa-Aesar
Boiling_Point 106-109°/7mm Alfa-Aesar
Melting_Point 20-21? Alfa-Aesar
Melting_Point 20-21° Alfa-Aesar

Activity (Go SEA)

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