UCSF

ZINC34441337

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 19 Yes

Popular Name: 4-[4-(2-pyridyl)piperazin-1-yl]cyclohexanamine 4-[4-(2-pyridyl)piperazin-1-yl]c…

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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) 0.83 4.8 -79.2 4 4 2 48 262.401 2 ↓
Hi High (pH 8-9.5) 0.83 4.48 -45.97 3 4 1 47 261.393 2 ↓
Mid Mid (pH 6-8) 0.83 6.97 -172.9 5 4 3 49 263.409 2 ↓
Mid Mid (pH 6-8) 0.83 6.64 -108.57 4 4 2 48 262.401 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5047406 IBM Patent Data

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