| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 19 | Yes |
Popular Name: (2S)-3-[4-(5-amino-2-pyridyl)piperazin-1-yl]-2-methyl-propanamide (2S)-3-[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) | 0.16 | 2.24 | -42.97 | 5 | 6 | 1 | 90 | 264.353 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 0.28 | -11.8 | 4 | 6 | 0 | 88 | 263.345 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 2.56 | -95.09 | 6 | 6 | 2 | 91 | 265.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 0.58 | -33.21 | 5 | 6 | 1 | 90 | 264.353 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
