UCSF

ZINC13684318

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 17 Yes

Popular Name: 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid 6-(4-ethylpiperazin-1-yl)pyridin…

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Other Names:

MFCD07376845

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) 0.98 7.75 -94.23 2 5 1 62 236.295 3 ↓
Mid Mid (pH 6-8) 0.99 5.29 -71.91 1 5 0 61 235.287 3 ↓
Mid Mid (pH 6-8) 0.99 2.91 -47.39 0 5 -1 59 234.279 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0882716A1; US6046201 IBM Patent Data

Activity (Go SEA)

Rings

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