In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(2-isopropylimidazol-1-yl)-1-(p-tolyl)butan-2-amine (1R,2S)-1-(2-isopropylimidazol-1…
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) | 2.91 | 9.09 | -98.55 | 4 | 3 | 2 | 47 | 273.424 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 8.23 | -5.8 | 2 | 3 | 0 | 44 | 271.408 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 8.54 | -50.62 | 3 | 3 | 1 | 45 | 272.416 | 5 | ↓ |