UCSF

ZINC33813351

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

Popular Name: (2S)-1-(2-diethylaminoethyl)-4-hydroxy-2-(4-isopropylphenyl)-3-(5-methylbenzofuran-2-carbonyl)-2H-py (2S)-1-(2-diethylaminoethyl)-4-h…

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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) 5.66 13.92 -64.59 1 6 0 78 474.601 9 ↓
Hi High (pH 8-9.5) 5.66 11.96 -58.92 0 6 -1 77 473.593 9 ↓
Lo Low (pH 4.5-6) 5.66 13.46 -45.31 2 6 1 75 475.609 9 ↓

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