| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 18 | Yes |
Popular Name: 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine 1-methyl-N-[3-(4-methylpiperazin…
| 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) | 0.71 | 4.69 | -78.84 | 3 | 4 | 2 | 24 | 256.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.71 | 2.43 | -33.99 | 2 | 4 | 1 | 23 | 255.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.71 | 4.8 | -74.04 | 3 | 4 | 2 | 24 | 256.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 3.68 | -109.08 | 3 | 4 | 2 | 28 | 256.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 1.34 | -41.34 | 2 | 4 | 1 | 26 | 255.43 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 5.87 | -183.69 | 4 | 4 | 3 | 29 | 257.446 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 6.24 | -162.06 | 4 | 4 | 3 | 29 | 257.446 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
