| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]propanamide (2S)-2-(cyclopropylamino)-2-meth…
| 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) | 0.76 | 3.08 | -88.95 | 5 | 5 | 2 | 67 | 284.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 3.27 | -38.48 | 4 | 5 | 1 | 63 | 283.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 1.48 | -5.97 | 3 | 5 | 0 | 62 | 282.432 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 1.2 | -42 | 4 | 5 | 1 | 66 | 283.44 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 3.4 | -37.25 | 4 | 5 | 1 | 63 | 283.44 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
