UCSF

ZINC21533195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 Yes

Popular Name: (3S)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(3-methylisoxazolo[4,5-e]pyrimidin-4-yl)piperidine-3 (3S)-N-[3-(4-cyclohexylpiperazin…

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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) 2.55 7.7 -50.42 2 9 1 92 470.642 7 ↓
Hi High (pH 8-9.5) 2.55 5.42 -15.2 1 9 0 91 469.634 7 ↓
Hi High (pH 8-9.5) 2.55 7.73 -55.63 2 9 1 92 470.642 7 ↓

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