UCSF

ZINC08817566

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dio 4-[hydroxy-(3-methoxyphenyl)-met…

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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) 4.09 10.16 -62.39 0 6 -1 83 441.507 7 ↓
Mid Mid (pH 6-8) 3.50 0.39 -14.6 0 6 0 76 442.515 7 ↓
Lo Low (pH 4.5-6) 4.53 0.69 -40.21 2 6 1 80 443.523 6 ↓
Lo Low (pH 4.5-6) 3.50 0.5 -42.7 1 6 1 77 443.523 7 ↓
Lo Low (pH 4.5-6) 4.09 9.33 -17.43 1 6 0 80 442.515 7 ↓

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