| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 19 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(2R)-2-(dimethylaminomethyl)pyrrolidin-1-yl]butanoic (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) | -1.04 | 7.08 | -79.39 | 3 | 5 | 1 | 64 | 270.397 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.04 | 4.27 | -33.5 | 2 | 5 | 0 | 63 | 269.389 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.04 | 5.68 | -45.66 | 2 | 5 | 0 | 60 | 269.389 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.04 | 6.69 | -72.38 | 3 | 5 | 1 | 64 | 270.397 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -1.04 | 8.8 | -164.58 | 4 | 5 | 2 | 66 | 271.405 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
