| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 18 | Yes |
Popular Name: (2S)-1-(4-methyl-1,4-diazepan-1-yl)-2-piperazin-1-yl-propan-1-one (2S)-1-(4-methyl-1,4-diazepan-1-…
| 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) | -0.52 | 3.71 | -92.48 | 3 | 5 | 2 | 45 | 256.394 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | 1.72 | -42.65 | 2 | 5 | 1 | 43 | 255.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.52 | 4.52 | -95.74 | 3 | 5 | 2 | 41 | 256.394 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.52 | 5.93 | -187.92 | 4 | 5 | 3 | 46 | 257.402 | 2 | ↓ |
