UCSF

ZINC05561318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 26 Yes

Popular Name: 3-(3-(1-Benzoylmethyl-2-methyl-3-propyl)piperidyl)phenol hydrochloride; Acetophenone, 2-(3-(m-hydroxyphenyl)-2-methyl-3-propylpiperidino)-, hydrochloride; LS-104009; N-Benzoylmethyl-3-(m-hydroxyphenyl)-2-methyl-3-propylpiperidine hydrochloride; Phenol, 3- 3-(3-(1-Benzoylmethyl-2-methyl-3…

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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) 4.82 10.51 -41.84 2 3 1 42 352.498 6 ↓
Mid Mid (pH 6-8) 4.82 8.85 -7.96 1 3 0 41 351.49 6 ↓

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

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