UCSF

ZINC06499017

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 33 No

Popular Name: 1-(3-diethylaminopropyl)-3-hydroxy-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)carbonyl]-5-(4-pyridyl)-5 1-(3-diethylaminopropyl)-3-hydro…

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Annotations

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Vendors

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) 2.53 0.22 -51.23 2 7 1 84 450.559 9 ↓
Mid Mid (pH 6-8) 1.95 0.05 -59.91 1 7 1 81 450.559 9 ↓
Lo Low (pH 4.5-6) 1.95 0.16 -115.2 2 7 2 82 451.567 9 ↓
Lo Low (pH 4.5-6) 2.98 -0.05 -115.34 3 7 2 85 451.567 8 ↓

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