| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-2-(1,4-diazepan-1-ylmethyl)-4-isobutyl-morpholine (2S)-2-(1,4-diazepan-1-ylmethyl)…
| 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) | 0.89 | 2.66 | -36.23 | 2 | 4 | 1 | 32 | 256.414 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 1.29 | -2.43 | 1 | 4 | 0 | 28 | 255.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 4.56 | -84.64 | 3 | 4 | 2 | 34 | 257.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | 4.76 | -108.6 | 3 | 4 | 2 | 34 | 257.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | 5.4 | -93.63 | 3 | 4 | 2 | 30 | 257.422 | 4 | ↓ |
