In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 14 | Yes |
Popular Name: [1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methanol [1-(6-methylpyridazin-3-yl)pyrro…
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CAS Number: 1251256-16-2
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) | 0.44 | 2.36 | -11.19 | 1 | 4 | 0 | 49 | 193.25 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 2.67 | -25.35 | 2 | 4 | 1 | 50 | 194.258 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Popular Name: [6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridazin-3-yl]methanol [6-[(2R)-2-(hydroxymethyl)pyrrol…
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) | -0.20 | -0.84 | -10.65 | 2 | 5 | 0 | 69 | 209.249 | 3 | ↓ |
Popular Name: [6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridazin-3-yl]methanol [6-[(2S)-2-(hydroxymethyl)pyrrol…
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) | -0.20 | -0.83 | -10.7 | 2 | 5 | 0 | 69 | 209.249 | 3 | ↓ |
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) | 0.44 | 2.35 | -11.14 | 1 | 4 | 0 | 49 | 193.25 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 2.66 | -25.39 | 2 | 4 | 1 | 50 | 194.258 | 2 | ↓ |