UCSF

ZINC01390664

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 Yes

Popular Name: 2-{[4-(2,3-dimethylphenyl)piperazino]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one 2-{[4-(2,3-dimethylphenyl)pipera…

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CAS Number: 866019-59-2

Other Names:

MFCD04125480

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.54 5.92 -45.61 3 6 1 78 345.419 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 190 - 192 KeyOrganics

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

No pre-computed analogs available. Try a structural similarity search.