In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2011 | 20 | Yes |
Popular Name: (1R,2S)-2-ethyl-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-propyl-cyclohexanamine (1R,2S)-2-ethyl-1-(4-ethyl-5-met…
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) | 4.97 | 9.57 | -28.68 | 2 | 2 | 1 | 29 | 295.516 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.97 | 8.71 | -2.79 | 1 | 2 | 0 | 25 | 294.508 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.97 | 10.1 | -90.75 | 3 | 2 | 2 | 31 | 296.524 | 6 | ↓ |