UCSF

ZINC56871206

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 43 No

Popular Name: 3-[(2E)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-meth 3-[(2E)-2-[[3-(2-carboxyethyl)-5…

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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) 4.73 14.12 -128.38 3 10 -2 167 588.705 13 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0114381A1; EP0278631A1; EP0278631B1; EP0301524A2; EP0301524B1; EP0308080A1; EP0308080B1; EP0315972A2; EP0315972B1; EP0331165A2; EP0333099A2; EP0343692A2; EP0343692B1; EP0751388A3; EP0769691A3; EP0855027A1; US4248733; US4571383; US4613447; US4677075; US4 IBM Patent Data

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Rings

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

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