UCSF

ZINC08973494

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 29 No

Popular Name: 4-[3-(2-furyl)-1-hydroxy-prop-2-enylidene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[3-(2-furyl)-1-hydroxy-prop-2-…

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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) 0.75 8.25 -66.19 0 7 -1 99 386.387 6 ↓
Mid Mid (pH 6-8) 0.75 6.79 -13.97 1 7 0 97 387.395 6 ↓
Mid Mid (pH 6-8) 0.17 7.23 -15.27 0 7 0 93 387.395 6 ↓
Lo Low (pH 4.5-6) 0.75 7.11 -37.36 2 7 1 98 388.403 6 ↓
Lo Low (pH 4.5-6) 0.17 7.55 -40.65 1 7 1 95 388.403 6 ↓
Lo Low (pH 4.5-6) 0.75 7.11 -35.61 2 7 1 98 388.403 6 ↓
Lo Low (pH 4.5-6) 0.17 7.55 -41.24 1 7 1 95 388.403 6 ↓
Lo Low (pH 4.5-6) 0.17 7.87 -112.02 2 7 2 96 389.411 6 ↓
Lo Low (pH 4.5-6) 0.75 7.43 -104.28 3 7 2 99 389.411 6 ↓

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