In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(2-ethylimidazol-1-yl)-1-(p-tolyl)butan-2-amine (1S,2R)-1-(2-ethylimidazol-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) | 2.43 | 8.53 | -98.79 | 4 | 3 | 2 | 47 | 259.397 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 7.63 | -6.15 | 2 | 3 | 0 | 44 | 257.381 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 7.93 | -50.84 | 3 | 3 | 1 | 45 | 258.389 | 5 | ↓ |