| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: 4-methyl-N1-[(1S)-1-(4-pyridyl)ethyl]benzene-1,3-diamine 4-methyl-N1-[(1S)-1-(4-pyridyl)e…
| 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 | 4.72 | -5.47 | 3 | 3 | 0 | 51 | 227.311 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 5.18 | -36.04 | 4 | 3 | 1 | 52 | 228.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
