| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 19 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(2R)-2-(dimethylaminomethyl)pyrrolidin-1-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(2R…
| 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) | 0.46 | 3.16 | -99.25 | 5 | 5 | 2 | 67 | 270.421 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 1.9 | -37.69 | 4 | 5 | 1 | 63 | 269.413 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 2.23 | -35.32 | 4 | 5 | 1 | 63 | 269.413 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 4.05 | -113.34 | 5 | 5 | 2 | 64 | 270.421 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 4.96 | -216.14 | 6 | 5 | 3 | 69 | 271.429 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
