| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | Yes |
Popular Name: (2S)-N-[3-(methoxymethyl)phenyl]-2-piperazin-1-yl-propanamide (2S)-N-[3-(methoxymethyl)phenyl]…
| 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) | 0.70 | 2.33 | -43.18 | 3 | 5 | 1 | 58 | 278.376 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 0.98 | -9.03 | 2 | 5 | 0 | 54 | 277.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 3.23 | -36.4 | 3 | 5 | 1 | 55 | 278.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 4.56 | -117.31 | 4 | 5 | 2 | 59 | 279.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
