| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-(4-isobutylpiperazin-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(4-i…
| 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) | 1.06 | 3.27 | -90.35 | 5 | 5 | 2 | 67 | 284.448 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 0.37 | -6.13 | 3 | 5 | 0 | 62 | 282.432 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 2.63 | -42.78 | 4 | 5 | 1 | 63 | 283.44 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 2.34 | -37.48 | 4 | 5 | 1 | 63 | 283.44 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
