| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: 3-methyl-N2-[(1S)-1-methyl-2-(1-piperidyl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[(1S)-1-methyl-2-(1-…
| 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) | 2.19 | 6.46 | -34.58 | 4 | 4 | 1 | 55 | 249.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.19 | -4.31 | 3 | 4 | 0 | 54 | 248.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 6.78 | -87.18 | 5 | 4 | 2 | 57 | 250.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
