| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | No |
Popular Name: 3-[(2S)-2-methyl-1-piperidyl]-N-[(5-nitro-2-furyl)methyl]propan-1-amine 3-[(2S)-2-methyl-1-piperidyl]-N-…
| 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) | 2.38 | 8.52 | -122.28 | 3 | 6 | 2 | 80 | 283.372 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 7.15 | -39.37 | 2 | 6 | 1 | 75 | 282.364 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 6.41 | -55.38 | 2 | 6 | 1 | 79 | 282.364 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
