In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (3R,4R)-N-ethyl-3-(2-methylimidazol-1-yl)heptan-4-amine (3R,4R)-N-ethyl-3-(2-methylimida…
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) | 2.53 | 8.1 | -94.03 | 3 | 3 | 2 | 36 | 225.38 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 8.06 | -40.52 | 2 | 3 | 1 | 34 | 224.372 | 7 | ↓ |