UCSF

ZINC20725400

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 Yes

Popular Name: 1-Piperazineethanol, alpha-((1-adamantylmethoxy)methyl)-4-methyl-, monohydrochloride; 1-Piperazineethanol, alpha-(3-adamantylmethoxymethyl)-4-methyl-, hydrochloride; LS-112029; alpha-(3-Adamantylmethoxymethyl)-4-methyl-1-piperazineethanol hydrochloride 1-Piperazineethanol, alpha-((1-a…

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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) 2.51 6 -34.61 2 4 1 37 323.501 6 ↓
Mid Mid (pH 6-8) 2.51 3.53 -3.64 1 4 0 36 322.493 6 ↓

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