| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 21 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[4-(2-dimethylaminoethyl)piperazin-1-yl]butanoic (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) | -1.54 | 6.93 | -132.9 | 4 | 6 | 2 | 69 | 300.447 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 3.82 | -66.89 | 2 | 6 | 0 | 63 | 298.431 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 3.6 | -48.66 | 2 | 6 | 0 | 63 | 298.431 | 9 | ↓ |
| Mid Mid (pH 6-8) | -1.54 | 4.74 | -67.43 | 3 | 6 | 1 | 68 | 299.439 | 9 | ↓ |
| Mid Mid (pH 6-8) | -1.54 | 6.09 | -92.16 | 3 | 6 | 1 | 64 | 299.439 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
