UCSF

ZINC05925363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 Yes

Popular Name: LS-104144; Phenol, m-(3-sec-butyl-1-(p-hydroxyphenethyl)-3-pyrrolidinyl)-, hydrochloride, hydrate; m-(3-sec-Butyl-1-(p-hydroxyphenethyl)-3-pyrrolidinyl)phenol hydrochloride hydrate LS-104144; Phenol, m-(3-sec-buty…

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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) 4.59 8.1 -45.9 3 3 1 45 340.487 6 ↓
Hi High (pH 8-9.5) 4.59 6.06 -5.75 2 3 0 44 339.479 6 ↓

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

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