| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 14 | Yes |
Popular Name: (2S)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]propane-1,2-diol (2S)-3-[[(3R)-1-cyclopropylpyrro…
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| 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) | -0.66 | -0.28 | -108.82 | 5 | 4 | 2 | 61 | 202.298 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -3.86 | -5.52 | 3 | 4 | 0 | 56 | 200.282 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | -1.4 | -34.07 | 4 | 4 | 1 | 57 | 201.29 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.66 | -2.74 | -41.59 | 4 | 4 | 1 | 60 | 201.29 | 5 | ↓ |
