UCSF

ZINC19483659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 Yes

Other Names:

MFCD09940719

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) 0.94 4.13 -88.24 3 3 2 24 213.369 3
Hi High (pH 8-9.5) 0.94 1.75 -40.39 2 3 1 23 212.361 3
Mid Mid (pH 6-8) 0.94 2.61 -33 2 3 1 20 212.361 3
Mid Mid (pH 6-8) 0.94 4.03 -101.7 3 3 2 24 213.369 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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