UCSF

ZINC02162301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 11 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) 3.39 4.41 -1.53 1 1 0 20 156.269 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 103-104?/4mm Alfa-Aesar
Boiling_Point 103-104°/4mm Alfa-Aesar
BP 82 / 3 TCI

Activity (Go SEA)

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