UCSF

ZINC02382268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 9 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) 2.46 -0.12 -4.95 1 1 0 20 146.548 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 61-65? Alfa-Aesar
Melting_Point 61-65° Alfa-Aesar
MP 62-65° Oakwood Chemical
MP 65° Matrix Scientific
MP 66 TCI
MP 66 - 68 Enamine Building Blocks
MP 66...68 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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