| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-methyl-piperidin-4-amine N-[[2-(dimethylaminomethyl)pheny…
| 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) | 1.67 | 9.25 | -84.76 | 3 | 3 | 2 | 21 | 263.429 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 5.07 | -38.29 | 2 | 3 | 1 | 23 | 262.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 6.29 | -34.48 | 2 | 3 | 1 | 20 | 262.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 9.66 | -199.11 | 4 | 3 | 3 | 25 | 264.437 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
