| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2R)-2-(3-furyl)-2-[(2S)-2-methylazepan-1-yl]ethanamine (2R)-2-(3-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) | 1.42 | 3.36 | -45.72 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 3.27 | -2.69 | 2 | 3 | 0 | 42 | 222.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.01 | -115.03 | 4 | 3 | 2 | 45 | 224.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.18 | -28.02 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
