UCSF

ZINC01529439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 31 Yes

CAS Number: 10191-41-0

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) 9.84 2.96 -4.71 1 2 0 29 430.717 12

Vendor Notes

Note Type Comments Provided By
Melting_Point 2-4? Alfa-Aesar
Melting_Point 2-4° Alfa-Aesar
Boiling_Point 200-220?/0.1mm Alfa-Aesar
Boiling_Point 200-220°/0.1mm Alfa-Aesar

Activity (Go SEA)

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