UCSF

ZINC00154012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 No

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) 1.05 3.83 -39.39 0 3 -1 49 177.179 3
Ref Reference (pH 7) 1.05 3.86 -38.6 0 3 -1 49 177.179 3
Mid Mid (pH 6-8) 2.05 2.95 -11.11 0 3 0 43 178.187 4

Vendor Notes

Note Type Comments Provided By
MP 105 - 107 Enamine Building Blocks
MP 105...107 Enamine Building Blocks
MP 61-64° Matrix Scientific
MP 62 - 64 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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