| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 20 | Yes |
Popular Name: (2R)-4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)butanamide (2R)-4-(4-tert-butylpiperazin-1-…
| 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) | 1.12 | 2.57 | -87.46 | 5 | 5 | 2 | 67 | 284.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 1.71 | -48.46 | 4 | 5 | 1 | 63 | 283.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | -0.56 | -8.61 | 3 | 5 | 0 | 62 | 282.432 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 1.58 | -40.24 | 4 | 5 | 1 | 63 | 283.44 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
