UCSF

ZINC12358727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 7 No

CAS Number: 286-20-4

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.55 2.57 -3.66 0 1 0 13 98.145 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 40? Alfa-Aesar
Melting_Point 40° Alfa-Aesar
Boiling_Point 129-130? Alfa-Aesar
Boiling_Point 129-130° Alfa-Aesar

Activity (Go SEA)

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