| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2010 | 19 | Yes |
Popular Name: (1S)-N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (1S)-N-[(1-methylpyrazol-4-yl)me…
| 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) | 3.03 | 8.42 | -43.1 | 2 | 3 | 1 | 34 | 258.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 7.27 | -6.28 | 1 | 3 | 0 | 30 | 257.381 | 4 | ↓ |
