UCSF

ZINC05593666

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-chlorophenyl)-hydroxy-meth…

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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) 1.98 7.66 -61.47 0 6 -1 86 404.833 5 ↓
Mid Mid (pH 6-8) 1.40 8.2 -14.6 0 6 0 80 405.841 5 ↓
Mid Mid (pH 6-8) 2.43 7.31 -23.68 1 6 0 83 405.841 4 ↓
Lo Low (pH 4.5-6) 2.43 7.59 -43.37 2 6 1 85 406.849 4 ↓
Lo Low (pH 4.5-6) 1.40 8.48 -39.59 1 6 1 81 406.849 5 ↓
Lo Low (pH 4.5-6) 2.43 7.62 -62.05 2 6 1 85 406.849 4 ↓
Lo Low (pH 4.5-6) 1.40 8.51 -49.72 1 6 1 81 406.849 5 ↓
Lo Low (pH 4.5-6) 2.43 7.9 -116.28 3 6 2 86 407.857 4 ↓
Lo Low (pH 4.5-6) 1.40 8.79 -108.11 2 6 2 83 407.857 5 ↓

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