| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | Yes |
Popular Name: (2S)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-methoxy-propan-2-amine (2S)-N-[2-(4-cyclopentylpiperazi…
| 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) | 1.73 | 5.27 | -86.52 | 3 | 4 | 2 | 34 | 271.449 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 1.86 | -2.56 | 1 | 4 | 0 | 28 | 269.433 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 4.04 | -31.94 | 2 | 4 | 1 | 29 | 270.441 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 3.09 | -35.19 | 2 | 4 | 1 | 32 | 270.441 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
