| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: (2S)-1-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-3-(4-methyl-1-piperidyl)propan-2-ol (2S)-1-[(3R)-4-(2-methoxyethyl)-…
| 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) | 1.08 | 5.01 | -80.01 | 3 | 5 | 2 | 42 | 315.502 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 2.86 | -36.15 | 2 | 5 | 1 | 40 | 314.494 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
