| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: N,N-diethyl-4-[(3S)-3-methyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(3S)-3-methyl-1,5…
| 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) | 3.21 | 9.18 | -40.43 | 3 | 3 | 0 | 24 | 277.456 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 9.1 | -33.81 | 2 | 3 | 1 | 23 | 276.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
