| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 15 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-(thiazol-4-ylmethyl)cyclohexane-1,2-diamine (1R,2S)-N1-methyl-N1-(thiazol-4-…
| 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) | 1.17 | 2.1 | -37.45 | 3 | 3 | 1 | 44 | 226.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 3.9 | -32.52 | 3 | 3 | 1 | 43 | 226.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 1.89 | -3.98 | 2 | 3 | 0 | 42 | 225.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.15 | -111.57 | 4 | 3 | 2 | 45 | 227.377 | 3 | ↓ |
