UCSF

ZINC01606035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

CAS Number: 33083-83-9

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) 4.38 2.43 -4.67 0 1 0 17 170.296 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 1-2? Alfa-Aesar
Melting_Point 1-2° Alfa-Aesar
Boiling_Point 103-106?/12mm Alfa-Aesar
Boiling_Point 103-106°/12mm Alfa-Aesar
BP 106 / 12 TCI

Activity (Go SEA)

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