UCSF

ZINC05513130

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 20 Yes

Popular Name: 12S-HHTrE 12S-HHTrE

Find On: PubMed — Wikipedia — Google

CAS Number: 54397-84-1

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) 4.47 10.11 -44.74 1 3 -1 60 279.4 12 ↓
Lo Low (pH 4.5-6) 4.47 8.13 -7.05 2 3 0 58 280.408 12 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links PGES2_BOVIN; PGES2_DANRE; PGES2_HUMAN; PGES2_MACFA; PGES2_MOUSE ChEBI
Reactome Database Links REACT_150343 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% )