| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 26 | Yes |
Popular Name: (2S)-2-amino-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]butanamide (2S)-2-amino-N-[[2-[4-(2-pyridyl…
| 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) | 0.40 | 6.58 | -155.95 | 6 | 7 | 3 | 91 | 357.482 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 5.98 | -46.12 | 4 | 7 | 1 | 89 | 355.466 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 5.67 | -9.88 | 3 | 7 | 0 | 87 | 354.458 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 6.44 | -93.4 | 5 | 7 | 2 | 90 | 356.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 6.41 | -89.62 | 5 | 7 | 2 | 90 | 356.474 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
