| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | No |
Popular Name: N-[[(2S,3S)-1-methyl-2-(5-nitro-2-furyl)azepan-3-yl]methyl]propan-1-amine N-[[(2S,3S)-1-methyl-2-(5-nitro-…
| 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) | 2.86 | 9.04 | -117.51 | 3 | 6 | 2 | 80 | 297.399 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 7.07 | -52.34 | 2 | 6 | 1 | 79 | 296.391 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
