| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 18 | Yes |
Popular Name: (1S)-N-methyl-3-(4-methylpiperazin-1-yl)-1-phenyl-propan-1-amine (1S)-N-methyl-3-(4-methylpiperaz…
| 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) | 0.97 | 5.28 | -36.79 | 2 | 3 | 1 | 20 | 248.394 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 6.49 | -90.95 | 3 | 3 | 2 | 24 | 249.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 4.12 | -40.17 | 2 | 3 | 1 | 23 | 248.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 6.38 | -113.82 | 3 | 3 | 2 | 24 | 249.402 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
