| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: 5-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]pyridin-2-amine 5-[[4-[(1S)-1-methylpropyl]piper…
| 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) | 1.43 | 4.56 | -33.87 | 3 | 4 | 1 | 47 | 249.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 2.65 | -4.08 | 2 | 4 | 0 | 45 | 248.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.03 | -76.72 | 4 | 4 | 2 | 48 | 250.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
