| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 24 | Yes |
Popular Name: (2S)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (2S)-2-[(3S)-3-ethyl-4-(2-methox…
| 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) | 1.03 | 6.17 | -79.84 | 2 | 6 | 2 | 42 | 342.528 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 3.92 | -44.02 | 1 | 6 | 1 | 40 | 341.52 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 1.72 | -8.01 | 0 | 6 | 0 | 39 | 340.512 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 3.95 | -32.29 | 1 | 6 | 1 | 40 | 341.52 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
