| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 21 | Yes |
Popular Name: (2R)-2-(cyclopropylamino)-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]butanamide (2R)-2-(cyclopropylamino)-4-[4-(…
| 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) | -0.04 | 0.85 | -81.58 | 5 | 6 | 2 | 71 | 299.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | -2.64 | -9.28 | 3 | 6 | 0 | 65 | 297.447 | 9 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | -0.15 | -42.59 | 4 | 6 | 1 | 66 | 298.455 | 9 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 2.14 | -102.56 | 5 | 6 | 2 | 67 | 299.463 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 3.12 | -178.78 | 6 | 6 | 3 | 72 | 300.471 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
