UCSF

ZINC09350764

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 No

Popular Name: 3-hydroxy-5-(4-isopropylphenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-5-(4-isopropylphenyl)-…

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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) 4.39 11.4 -61.25 0 6 -1 83 467.545 6 ↓
Mid Mid (pH 6-8) 3.80 -0.22 -13.07 0 6 0 76 468.553 6 ↓
Mid Mid (pH 6-8) 4.83 11.09 -12.53 1 6 0 80 468.553 5 ↓
Lo Low (pH 4.5-6) 3.80 -0.11 -43.5 1 6 1 77 469.561 6 ↓
Lo Low (pH 4.5-6) 4.39 11.02 -45.82 2 6 1 81 469.561 6 ↓

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