| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 16 | Yes |
Popular Name: (3S)-1-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine (3S)-1-[3-(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) | -0.47 | 3.14 | -79.95 | 4 | 4 | 2 | 38 | 228.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | -1.56 | -44.04 | 3 | 4 | 1 | 37 | 227.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 0.77 | -88.77 | 4 | 4 | 2 | 39 | 228.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 1.05 | -113.99 | 4 | 4 | 2 | 39 | 228.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 3.31 | -192.47 | 5 | 4 | 3 | 40 | 229.392 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.47 | 3.42 | -171.38 | 5 | 4 | 3 | 40 | 229.392 | 4 | ↓ |
