| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 2-(aminomethyl)-4-chloro-N-ethyl-N-(4-pyridylmethyl)aniline 2-(aminomethyl)-4-chloro-N-ethyl…
| 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) | 2.32 | 6.96 | -41.81 | 3 | 3 | 1 | 44 | 276.791 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 6.8 | -3.36 | 2 | 3 | 0 | 42 | 275.783 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 7.42 | -106.27 | 4 | 3 | 2 | 45 | 277.799 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
