| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 21 | Yes |
Popular Name: (1S)-1-[1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine (1S)-1-[1-[(4-methoxy-3,5-dimeth…
| 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) | 0.25 | 4.59 | -43.31 | 3 | 5 | 1 | 68 | 289.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 4.25 | -8.36 | 2 | 5 | 0 | 66 | 288.395 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.25 | 5.08 | -90.66 | 4 | 5 | 2 | 69 | 290.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
