| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-(2-methylimidazol-1-yl)-1-(p-tolyl)butan-2-amine (1S,2S)-1-(2-methylimidazol-1-yl…
| 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) | 1.85 | 7.84 | -105.97 | 4 | 3 | 2 | 47 | 245.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 7.02 | -5.43 | 2 | 3 | 0 | 44 | 243.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 7.36 | -47.54 | 3 | 3 | 1 | 45 | 244.362 | 4 | ↓ |
