UCSF

ZINC18180322

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 24 No

Popular Name: Prostaglandin A2 Prostaglandin A2

Find On: PubMed — Wikipedia — Google

CAS Number: 13345-50-1

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) 3.76 10.98 -52.75 1 4 -1 77 333.448 12 ↓
Ref Reference (pH 7) 3.92 11.04 -56.78 1 4 -1 77 333.448 12 ↓
Lo Low (pH 4.5-6) 3.92 9.07 -14.93 2 4 0 75 334.456 12 ↓
Lo Low (pH 4.5-6) 3.76 8.86 -13.08 2 4 0 75 334.456 12 ↓
Lo Low (pH 4.5-6) 3.76 8.86 -11.25 2 4 0 75 334.456 12 ↓
Lo Low (pH 4.5-6) 3.76 9.01 -12.93 2 4 0 75 334.456 12 ↓
Lo Low (pH 4.5-6) 3.76 9.01 -12.15 2 4 0 75 334.456 12 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.99e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US3954844; US5059586; US5130300; US5182302; US6031001 IBM Patent Data

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