| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: (1S)-1-[(3R)-1-methyl-3-piperidyl]-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-[(3R)-1-methyl-3-piperidy…
None
| 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) | 0.19 | 5.62 | -78.71 | 3 | 5 | 1 | 61 | 224.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 5.76 | -104.86 | 4 | 5 | 2 | 63 | 225.34 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 4.73 | -39.08 | 3 | 5 | 1 | 58 | 224.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 4.71 | -38.82 | 3 | 5 | 1 | 58 | 224.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 5.78 | -95.59 | 4 | 5 | 2 | 63 | 225.34 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
