| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclooctane-1,2-diamine (1S,2R)-N2-(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) | 3.94 | 8.74 | -29.27 | 2 | 2 | 1 | 16 | 253.454 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 9.65 | -112.3 | 3 | 2 | 2 | 21 | 254.462 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
