| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: 2-[4-[(3S)-3-amino-3-(p-tolyl)propyl]piperazin-1-yl]ethanol 2-[4-[(3S)-3-amino-3-(p-tolyl)pr…
| 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) | -0.56 | 0.57 | -47.22 | 4 | 4 | 1 | 54 | 278.42 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | 2.51 | -35.41 | 4 | 4 | 1 | 54 | 278.42 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.56 | 2.82 | -121.68 | 5 | 4 | 2 | 56 | 279.428 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
