UCSF

ZINC65494070

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 No

Popular Name: 7-[(5S)-5-(3-pyridyl)-1,5-dihydropyrazol-2-yl]-2H-isoquinolin-1-one 7-[(5S)-5-(3-pyridyl)-1,5-dihydr…

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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) 1.72 6.12 -14.18 2 5 0 61 290.326 2 ↓
Lo Low (pH 4.5-6) 1.72 6.59 -38.58 3 5 1 62 291.334 2 ↓

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

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