| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 20 | Yes |
Popular Name: N-[(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]propyl]cyclohexanamine N-[(2S)-2-[(4aR,8aS)-3,4,4a,5,6,…
| 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) | 4.54 | 10.53 | -116.69 | 3 | 2 | 2 | 21 | 280.5 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 9.42 | -28.42 | 2 | 2 | 1 | 16 | 279.492 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 8.79 | -35.59 | 2 | 2 | 1 | 20 | 279.492 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
