| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: (2R,3S)-1-methyl-2-(5-nitro-2-furyl)piperidin-3-amine (2R,3S)-1-methyl-2-(5-nitro-2-fu…
| 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) | 0.53 | 4.35 | -39.35 | 3 | 6 | 1 | 89 | 226.256 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 3.86 | -128.58 | 4 | 6 | 2 | 91 | 227.264 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
