UCSF

ZINC27639049

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 23 No

Popular Name: 15-deoxy-delta-12,14-PGA2 15-deoxy-delta-12,14-PGA2

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CAS Number: 112839-31-3

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) 5.21 13.64 -50.57 0 3 -1 57 315.433 11 ↓
Lo Low (pH 4.5-6) 5.21 11.67 -12 1 3 0 54 316.441 11 ↓
Lo Low (pH 4.5-6) 5.21 11.66 -14.29 1 3 0 54 316.441 11 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_150290 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% )

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