| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | No |
Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(5-nitro-2-furyl)azepan-3-yl]methanamine N-methyl-1-[(2S,3R)-1-methyl-2-(…
| 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) | 2.33 | 7.26 | -108.05 | 3 | 6 | 2 | 80 | 269.345 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 5.29 | -44.27 | 2 | 6 | 1 | 79 | 268.337 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
