UCSF

ZINC00329968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 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) 3.24 6.97 -52.55 1 3 -1 52 226.255 4

Vendor Notes

Note Type Comments Provided By
MP 171 TCI
MP 171 - 173 Enamine Building Blocks
MP 171...173 Enamine Building Blocks
MP 177-179° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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