| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 17 | Yes |
Popular Name: (3S)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-3-amine (3S)-1-[4-(4-methylpiperazin-1-y…
| 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) | -0.20 | 3.8 | -89.79 | 4 | 4 | 2 | 38 | 242.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 1.82 | -113.4 | 4 | 4 | 2 | 39 | 242.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 1.73 | -81.16 | 4 | 4 | 2 | 39 | 242.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 1.55 | -87 | 4 | 4 | 2 | 39 | 242.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 4.08 | -181.49 | 5 | 4 | 3 | 40 | 243.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | -0.77 | -43.9 | 3 | 4 | 1 | 37 | 241.403 | 5 | ↓ |
