UCSF

ZINC12496015

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 No

Popular Name: Prostaglandin J2 Prostaglandin J2

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CAS Number: 60203-57-8

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) 3.76 10.83 -48.43 1 4 -1 77 333.448 12 ↓
Lo Low (pH 4.5-6) 3.76 8.85 -11.59 2 4 0 75 334.456 12 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1563849 ChEBI
UniProt Database Links HYES_HUMAN; HYES_MOUSE; HYES_PIG; HYES_RAT; NFKB1_CANFA; NFKB1_HUMAN; NFKB1_MOUSE; RASH_HUMAN; RASH_MOUSE; RASH_RAT; SQSTM_HUMAN ChEBI
Reactome Database Links REACT_150141; REACT_150384 ChEBI
PUBCHEM_PATENT_ID US3954844; US6031001 IBM Patent Data

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

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

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