| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 17 | Yes |
Popular Name: (1S)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1-(o-tolyl)ethanamine (1S)-N-[(3-methyl-1H-pyrazol-4-y…
| 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) | 2.39 | 6.52 | -43.59 | 3 | 3 | 1 | 45 | 230.335 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 5.35 | -5.85 | 2 | 3 | 0 | 41 | 229.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 5.33 | -4.99 | 2 | 3 | 0 | 41 | 229.327 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 6.49 | -42.57 | 3 | 3 | 1 | 45 | 230.335 | 4 | ↓ |
