UCSF

ZINC39500562

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 27 Yes

Popular Name: 6-[1-[[(2S,5S)-2,5-dimethyl-1-(3-pyridyl)-2,5-dihydropyrrol-3-yl]methyl]-4-piperidyl]-5H-pyrimidin-4 6-[1-[[(2S,5S)-2,5-dimethyl-1-(3…

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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) 1.95 9.66 -56.03 2 6 1 66 366.489 4 ↓
Hi High (pH 8-9.5) 2.41 7.37 -72.74 1 6 0 69 365.481 4 ↓
Mid Mid (pH 6-8) 1.95 10.1 -95.74 3 6 2 68 367.497 4 ↓

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

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