| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 21 | Yes |
Popular Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylsulfonylphenyl)ethanamine (1S)-N-[[(2S)-1-ethylpyrrolidin-…
| 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) | 1.72 | 3.92 | -53.85 | 2 | 4 | 1 | 54 | 311.471 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.7 | -10.17 | 1 | 4 | 0 | 49 | 310.463 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 5.1 | -44.47 | 2 | 4 | 1 | 51 | 311.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 6.06 | -128.42 | 3 | 4 | 2 | 55 | 312.479 | 6 | ↓ |
