| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 18 | Yes |
Popular Name: (2S)-N-allyl-2-(4-cyclopentylpiperazin-1-yl)propan-1-amine (2S)-N-allyl-2-(4-cyclopentylpip…
| 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) | 2.04 | 6.99 | -91.39 | 3 | 3 | 2 | 24 | 253.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 3.52 | -0.6 | 1 | 3 | 0 | 19 | 251.418 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 4.83 | -35.19 | 2 | 3 | 1 | 23 | 252.426 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.69 | -31.61 | 2 | 3 | 1 | 20 | 252.426 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
