UCSF

ZINC62154058

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 24 No

Popular Name: 5-[3-(3-hydroxy-4-pyridyl)-1-methyl-pyrazol-4-yl]indan-1-one 5-[3-(3-hydroxy-4-pyridyl)-1-met…

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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) 2.25 4.96 -35.32 2 6 0 88 320.352 2 ↓
Hi High (pH 8-9.5) 2.25 4.49 -56.75 1 6 -1 86 319.344 2 ↓
Mid Mid (pH 6-8) 2.25 3.72 -13.34 2 6 0 84 320.352 2 ↓

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

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