UCSF

ZINC52525209

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 25 No

Popular Name: 2-hydroxy-N-(3-methyl-1H-pyrazol-5-yl)-4-oxo-1,6,7,11b-tetrahydro-4H-pyrido[2,1-a]isoquinoline-1-carboxamide 2-hydroxy-N-(3-methyl-1H-pyrazol…

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CAS Number: 1240220-46-5

Other Names:

MFCD03617544

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) 0.29 4.88 -41.4 2 7 -1 101 337.359 2 ↓
Hi High (pH 8-9.5) 1.03 3.71 -115.13 2 7 -2 107 336.351 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 347 KeyOrganics

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Rings

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

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