| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2S)-2-(2-furyl)-2-[(2S)-2-methylazepan-1-yl]ethanamine (2S)-2-(2-furyl)-2-[(2S)-2-methy…
| 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) | 1.73 | 5.67 | -115.53 | 4 | 3 | 2 | 45 | 224.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 5.51 | -26.1 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 3.65 | -46.76 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
