UCSF

ZINC67954688

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: [1-ethyl-5-[2-methyl-6-[(3R)-3-piperidyl]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl] [1-ethyl-5-[2-methyl-6-[(3R)-3-p…

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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) 0.60 5.33 -50.54 3 7 1 84 357.482 4 ↓
Mid Mid (pH 6-8) 0.60 5.92 -106.96 4 7 2 85 358.49 4 ↓
Lo Low (pH 4.5-6) 0.60 6.16 -158.98 5 7 3 86 359.498 4 ↓

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

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