UCSF

ZINC05563388

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 No

Popular Name: 1-(3-dimethylaminopropyl)-5-(2-furyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-pyrrolidine-2,3-dio 1-(3-dimethylaminopropyl)-5-(2-f…

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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) 3.18 1.99 -43.92 2 7 1 84 413.494 8 ↓
Mid Mid (pH 6-8) 3.18 1.59 -48.88 2 7 1 84 413.494 8 ↓
Mid Mid (pH 6-8) 2.15 1.68 -55.52 1 7 1 81 413.494 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.