| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 17 | Yes |
Popular Name: (1S,2S)-N2-(3-methoxypropyl)-N1,N2-dimethyl-cyclooctane-1,2-diamine (1S,2S)-N2-(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) | 2.78 | 6.4 | -31.21 | 2 | 3 | 1 | 26 | 243.415 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 6.72 | -112.99 | 3 | 3 | 2 | 30 | 244.423 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
