| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2S,3R)-1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)piperidin-3-amine (2S,3R)-1-methyl-2-(1,3,5-trimet…
| 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) | 0.01 | 2.42 | -43.57 | 3 | 4 | 1 | 49 | 223.344 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 2.16 | -6.17 | 2 | 4 | 0 | 47 | 222.336 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | 4.15 | -107.37 | 4 | 4 | 2 | 50 | 224.352 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | 3.88 | -34.9 | 3 | 4 | 1 | 48 | 223.344 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
