UCSF

ZINC13540213

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Substance Information

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

Popular Name: 8-iso-15-keto-PGE2 8-iso-15-keto-PGE2

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26441-05-4 , 914804-63-0

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) 2.68 9.66 -55.02 1 5 -1 94 349.447 12 ↓
Lo Low (pH 4.5-6) 2.68 7.83 -15.32 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.85 -13.45 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.69 -14.7 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.79 -13.12 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.65 -20.61 2 5 0 92 350.455 12 ↓
Lo Low (pH 4.5-6) 2.68 7.98 -19.56 2 5 0 92 350.455 12 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links PGDH_BOVIN; PGDH_CAVPO; PGDH_HUMAN; PGDH_MACFA; PGDH_MOUSE; PGDH_RAT; PTGR1_BOVIN; PTGR1_CAVPO; PTGR1_HUMAN; PTGR1_MOUSE; PTGR1_PIG; PTGR1_RABIT; PTGR1_RAT; PTGR2_BOVIN; PTGR2_HUMAN; PTGR2_MOUSE; PTGR2_PONAB; PTGR2_RAT ChEBI
UniProt Database Links PTGR1_BOVIN; PTGR1_CAVPO; PTGR1_HUMAN; PTGR1_MOUSE; PTGR1_PIG; PTGR1_RABIT; PTGR1_RAT; PTGR2_BOVIN; PTGR2_HUMAN; PTGR2_MOUSE; PTGR2_PONAB; PTGR2_RAT ChEBI
Reactome Database Links REACT_150174; REACT_150186 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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