UCSF

ZINC69489212

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 26 Yes

Popular Name: 1-[2-(3-fluorophenoxy)-3-pyridyl]-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]me 1-[2-(3-fluorophenoxy)-3-pyridyl…

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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) 2.73 6.33 -57.87 3 6 1 69 354.409 6 ↓
Mid Mid (pH 6-8) 2.73 4.94 -10.89 2 6 0 64 353.401 6 ↓
Lo Low (pH 4.5-6) 2.73 6.49 -103.55 4 6 2 70 355.417 6 ↓

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

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