UCSF

ZINC19364555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 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) -0.18 -0.01 -42.67 3 3 1 40 159.253 2
Lo Low (pH 4.5-6) -0.18 1.71 -115.9 4 3 2 41 160.261 2
Lo Low (pH 4.5-6) -0.18 0.31 -33.31 3 3 1 37 159.253 2

Vendor Notes

Note Type Comments Provided By
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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