| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[4-(dimethylaminomethyl)-1-piperidyl]butanamide (2S)-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) | 0.85 | 4.65 | -102.18 | 5 | 5 | 2 | 64 | 284.448 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 2.43 | -43.34 | 4 | 5 | 1 | 63 | 283.44 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 5.57 | -186.02 | 6 | 5 | 3 | 69 | 285.456 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
