| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 18 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N2-(3-methoxypropyl)-N2-methyl-cyclooctane-1,2-diamine (1S,2S)-N1-ethyl-N2-(3-methoxypr…
| 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) | 3.16 | 7.26 | -31.41 | 2 | 3 | 1 | 26 | 257.442 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.55 | -111.82 | 3 | 3 | 2 | 30 | 258.45 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 5.79 | -32 | 2 | 3 | 1 | 29 | 257.442 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
