| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-cyclooctane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…
| 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) | 2.66 | 6.77 | -118.62 | 4 | 2 | 2 | 32 | 226.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.63 | -39.07 | 3 | 2 | 1 | 31 | 225.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 6.54 | -31.91 | 3 | 2 | 1 | 30 | 225.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
