UCSF

ZINC65516938

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 Yes

Popular Name: (2S)-2-morpholino-N-[[3-(3-pyridyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (2S)-2-morpholino-N-[[3-(3-pyrid…

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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) 0.61 2.86 -48.27 3 6 1 71 302.402 6 ↓
Hi High (pH 8-9.5) 0.61 2.39 -8.52 2 6 0 66 301.394 6 ↓
Hi High (pH 8-9.5) 0.61 1.36 -6.41 2 6 0 66 301.394 6 ↓
Mid Mid (pH 6-8) 0.61 2.66 -42.59 3 6 1 71 302.402 6 ↓
Lo Low (pH 4.5-6) 0.61 4.67 -125.8 4 6 2 72 303.41 6 ↓
Lo Low (pH 4.5-6) 0.61 4.61 -120.05 4 6 2 72 303.41 6 ↓

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