UCSF

ZINC01733907

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 No

CAS Number: 2404-44-6

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) 4.11 6.01 -3.33 0 1 0 13 156.269 7

Vendor Notes

Note Type Comments Provided By
Boiling_Point 92-93?/14mm Alfa-Aesar
Boiling_Point 92-93°/14mm Alfa-Aesar

Activity (Go SEA)

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