| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 16 | Yes |
Popular Name: (1S,2S)-N1-(3-methoxypropyl)-N1-methyl-cyclooctane-1,2-diamine (1S,2S)-N1-(3-methoxypropyl)-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) | 1.87 | 3.3 | -39.34 | 3 | 3 | 1 | 40 | 229.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 5.03 | -31.31 | 3 | 3 | 1 | 40 | 229.388 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 4.86 | -120.75 | 4 | 3 | 2 | 41 | 230.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
