| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | No |
Popular Name: (1S)-1-[(3R)-1-methyl-3-piperidyl]-N-[(3-nitrophenyl)methyl]ethanamine (1S)-1-[(3R)-1-methyl-3-piperidy…
| 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) | 2.56 | 8.36 | -42.81 | 2 | 5 | 1 | 62 | 278.376 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 7.12 | -52.36 | 2 | 5 | 1 | 66 | 278.376 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 9.41 | -116.48 | 3 | 5 | 2 | 67 | 279.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
