UCSF

ZINC67132911

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 22 Yes

Popular Name: 1-phenethyl-4-[2-(2-pyridyl)ethyl]piperazine 1-phenethyl-4-[2-(2-pyridyl)ethy…

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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) 2.67 9.34 -38.76 1 3 1 21 296.438 6 ↓
Hi High (pH 8-9.5) 2.67 7.07 -5.23 0 3 0 19 295.43 6 ↓
Mid Mid (pH 6-8) 2.67 9.34 -37.01 1 3 1 21 296.438 6 ↓
Lo Low (pH 4.5-6) 2.67 9.69 -84.3 2 3 2 22 297.446 6 ↓

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

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