| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 19 | Yes |
Popular Name: (2S)-1-amino-3-[4-(2-cyclohexen-1-ylethyl)piperazin-1-yl]propan-2-ol (2S)-1-amino-3-[4-(2-cyclohexen-…
| 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) | 0.77 | 2.59 | -91.16 | 5 | 4 | 2 | 56 | 269.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 2.22 | -35.63 | 4 | 4 | 1 | 54 | 268.425 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 0.32 | -43.34 | 4 | 4 | 1 | 54 | 268.425 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | -0.07 | -3.54 | 3 | 4 | 0 | 53 | 267.417 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
