UCSF

ZINC19864763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 Yes

Other Names:

MFCD11135144

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) 1.98 2.88 -40.4 3 3 1 46 250.24 6
Hi High (pH 8-9.5) 1.98 1.38 -6.11 2 3 0 41 249.232 6

Vendor Notes

Note Type Comments Provided By
MP 124 - 127 Enamine Building Blocks
MP 124...127 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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