UCSF

ZINC08294959

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 8 Yes

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) 1.53 3.93 -4.11 0 1 0 13 107.156 0
Lo Low (pH 4.5-6) 1.53 4.21 -28.52 1 1 1 14 108.164 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 11? Alfa-Aesar
Melting_Point 11° Alfa-Aesar
MP 12 - -10 Enamine Building Blocks
MP 12...-10 Enamine Building Blocks
MP 6 TCI
Boiling_Point 163-164? Alfa-Aesar
Boiling_Point 163-164° Alfa-Aesar
BP 179 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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