| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 19 | Yes |
Popular Name: (2S)-2-[4-(5-amino-2-pyridyl)piperazin-1-yl]-N-methyl-propanamide (2S)-2-[4-(5-amino-2-pyridyl)pip…
| 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) | 0.12 | 2.85 | -36.69 | 4 | 6 | 1 | 76 | 264.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 3.18 | -88.76 | 5 | 6 | 2 | 77 | 265.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 1 | -31 | 4 | 6 | 1 | 76 | 264.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 0.65 | -12.25 | 3 | 6 | 0 | 74 | 263.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
