UCSF

ZINC52537243

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 25 Yes

Popular Name: 3-oxo-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2,3-dihydro-4-pyridazinecarboxylic acid 3-oxo-6-(2-phenylpyrazolo[1,5-a]…

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CAS Number: 195826-99-4

Other Names:

MFCD16628296

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) 2.86 5.66 -52.37 1 7 -1 103 331.311 3 ↓
Hi High (pH 8-9.5) 2.86 6.67 -140.21 0 7 -2 106 330.303 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 272 - 274 KeyOrganics

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Rings

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

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