| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-(4-methylsulfonylpiperazin-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(4-m…
| 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) | -0.69 | -2.16 | -46.05 | 4 | 7 | 1 | 100 | 305.424 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | -3.08 | -15.6 | 3 | 7 | 0 | 96 | 304.416 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.69 | 0.04 | -126.8 | 5 | 7 | 2 | 102 | 306.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
