UCSF

ZINC03860617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 7 Yes

CAS Number: 109-02-4

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) 0.19 2.31 -33.04 1 2 1 14 102.157 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 65? Alfa-Aesar
Melting_Point 65° Alfa-Aesar
Boiling_Point 116-118? Alfa-Aesar
Boiling_Point 116-118° Alfa-Aesar

Activity (Go SEA)

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