| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 19 | Yes |
Popular Name: (2S)-4-amino-1-[4-(4-pyridylmethyl)piperazin-1-yl]butan-2-ol (2S)-4-amino-1-[4-(4-pyridylmeth…
| 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) | -1.59 | 0.38 | -95.11 | 5 | 5 | 2 | 68 | 266.389 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.59 | 0.44 | -103.13 | 5 | 5 | 2 | 68 | 266.389 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.59 | -1.87 | -46.73 | 4 | 5 | 1 | 67 | 265.381 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
