UCSF

ZINC13525280

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 No

Popular Name: 15-keto Prostaglandin E1 15-keto Prostaglandin E1

Find On: PubMed — Wikipedia — Google

CAS Number: 22973-19-9

Download: MOL2 SDF SMILES Flexibase

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) 3.17 10.11 -51.9 1 5 -1 94 351.463 13 ↓
Lo Low (pH 4.5-6) 3.17 8.12 -15.13 2 5 0 92 352.471 13 ↓
Lo Low (pH 4.5-6) 3.17 8.11 -11.55 2 5 0 92 352.471 13 ↓
Lo Low (pH 4.5-6) 3.17 7.96 -13.68 2 5 0 92 352.471 13 ↓
Lo Low (pH 4.5-6) 3.17 8.11 -12.42 2 5 0 92 352.471 13 ↓
Lo Low (pH 4.5-6) 3.17 7.94 -16.68 2 5 0 92 352.471 13 ↓
Lo Low (pH 4.5-6) 3.17 8.13 -13.03 2 5 0 92 352.471 13 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CBR1_BOVIN; CBR1_HUMAN; CBR1_MACFA; CBR1_MOUSE; CBR1_PIG; CBR1_PONAB; CBR1_RABIT; CBR1_RAT ChEBI
PUBCHEM_PATENT_ID US5272054 IBM Patent Data

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