UCSF

ZINC19372324

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 31 Yes

Popular Name: (3S)-1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[3,4-e]pyrimidin-4-yl)piperidine-3-carboxami (3S)-1-(6-benzyl-2-pyrrolidin-1-…

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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 7.52 -28.26 3 7 1 80 421.569 5 ↓
Hi High (pH 8-9.5) 2.73 7.08 -16.02 2 7 0 79 420.561 5 ↓
Mid Mid (pH 6-8) 2.73 9.92 -100.85 4 7 2 81 422.577 5 ↓
Mid Mid (pH 6-8) 2.73 9.59 -109.78 4 7 2 81 422.577 5 ↓
Mid Mid (pH 6-8) 2.73 9.47 -54.33 3 7 1 80 421.569 5 ↓

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