| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: N-[3-(4-methylpiperazin-1-yl)propyl]-1-propyl-piperidin-4-amine N-[3-(4-methylpiperazin-1-yl)pro…
| 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) | 1.59 | 6.09 | -79.35 | 3 | 4 | 2 | 24 | 284.492 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 3.84 | -33.58 | 2 | 4 | 1 | 23 | 283.484 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 6.21 | -74.06 | 3 | 4 | 2 | 24 | 284.492 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 5.07 | -109.21 | 3 | 4 | 2 | 28 | 284.492 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 2.73 | -41.2 | 2 | 4 | 1 | 26 | 283.484 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 7.27 | -186.9 | 4 | 4 | 3 | 29 | 285.5 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.59 | 7.56 | -164.8 | 4 | 4 | 3 | 29 | 285.5 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
