| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: (1S)-1-(2,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (1S)-1-(2,5-dimethylphenyl)-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) | 2.66 | 7.89 | -43.29 | 2 | 3 | 1 | 34 | 244.362 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.72 | -6.16 | 1 | 3 | 0 | 30 | 243.354 | 4 | ↓ |
