UCSF

ZINC23214265

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 28 Yes

Popular Name: (3R)-4-(2,2-dimethylpropyl)-3-[2-oxo-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]piperazin-2-one (3R)-4-(2,2-dimethylpropyl)-3-[2…

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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) 1.96 4.79 -40.33 2 7 1 70 388.536 6 ↓
Hi High (pH 8-9.5) 1.96 2.91 -13.55 1 7 0 69 387.528 6 ↓
Mid Mid (pH 6-8) 1.96 7.06 -92.71 3 7 2 71 389.544 6 ↓
Mid Mid (pH 6-8) 1.96 5.17 -82.28 3 7 2 71 389.544 6 ↓
Lo Low (pH 4.5-6) 1.96 7.45 -181.75 4 7 3 72 390.552 6 ↓

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