| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2008 | 23 | Yes |
Popular Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepane 1-[[(3S)-1-(2-methoxyethyl)pyrro…
| 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) | 1.43 | 9.36 | -104.88 | 2 | 6 | 2 | 47 | 321.469 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 4.69 | -7.15 | 0 | 6 | 0 | 45 | 319.453 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 6.88 | -41.2 | 1 | 6 | 1 | 46 | 320.461 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 7.17 | -38.02 | 1 | 6 | 1 | 46 | 320.461 | 6 | ↓ |
