UCSF

ZINC20219396

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-(4-pyridyl)-5H-pyrrol-2 (5S)-1-(3-diethylaminopropyl)-3-…

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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) 2.71 9.59 -69.41 1 8 0 100 463.534 10 ↓
Lo Low (pH 4.5-6) 2.71 8.84 -42.87 2 8 1 97 464.542 10 ↓
Lo Low (pH 4.5-6) 2.71 10.04 -107.68 2 8 1 101 464.542 10 ↓

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