UCSF

ZINC71545069

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 Yes

Popular Name: (2S)-2-(4-butoxyphenyl)piperazine (2S)-2-(4-butoxyphenyl)piperazine

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Vendors

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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) 2.47 4.34 -42.03 3 3 1 38 235.351 5 ↓
Hi High (pH 8-9.5) 2.47 4.29 -39 3 3 1 38 235.351 5 ↓
Hi High (pH 8-9.5) 2.47 2.98 -3.28 2 3 0 33 234.343 5 ↓
Lo Low (pH 4.5-6) 2.47 5.63 -124.23 4 3 2 42 236.359 5 ↓

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

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