| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-[(2-methylthiazol-4-yl)methyl]cyclohexane-1,2-diamine (1R,2S)-N1-methyl-N1-[(2-methylt…
| 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) | 0.89 | 3.19 | -43.54 | 3 | 3 | 1 | 44 | 240.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 4.95 | -30.69 | 3 | 3 | 1 | 43 | 240.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 3.01 | -3.72 | 2 | 3 | 0 | 42 | 239.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 5.19 | -118.2 | 4 | 3 | 2 | 45 | 241.404 | 3 | ↓ |
