UCSF

ZINC01699272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 8 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) 1.44 3.09 -38.83 3 1 1 28 116.228 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 128-129? Alfa-Aesar
Boiling_Point 128-129° Alfa-Aesar

Activity (Go SEA)

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