UCSF

ZINC33754448

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 28 Yes

Popular Name: 1-Propanone, 1-(4-(4-butoxybutoxy)-3-ethylphenyl)-3-(1-piperidinyl)-, hydrochloride; 4'-(4-Butoxybutoxy)-3'-ethyl-3-piperidinopropiophenone hydrochloride; LS-125075; Propiophenone, 4'-(4-butoxybutoxy)-3'-ethyl-3-piperidino-, hydrochloride; beta-Piperidino 1-Propanone, 1-(4-(4-butoxybutox…

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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) 5.53 13.86 -41.82 1 4 1 40 390.588 14 ↓
Hi High (pH 8-9.5) 5.53 11.64 -7.36 0 4 0 39 389.58 14 ↓

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