| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 18 | Yes |
Popular Name: 2-[4-[(1S,2S)-2-(aminomethyl)cycloheptyl]piperazin-1-yl]ethanol 2-[4-[(1S,2S)-2-(aminomethyl)cyc…
| 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) | 0.68 | 0.87 | -114.3 | 5 | 4 | 2 | 56 | 257.422 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | -0.8 | -46.86 | 4 | 4 | 1 | 54 | 256.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
