| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 14 | Yes |
Popular Name: (1R,2S)-N1,N1-dimethyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1R,2S)-N1,N1-dimethyl-1-(3-meth…
| 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) | 1.94 | 3.53 | -38.82 | 3 | 2 | 1 | 31 | 213.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 3.24 | -1.76 | 2 | 2 | 0 | 29 | 212.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 5.15 | -32.22 | 3 | 2 | 1 | 30 | 213.37 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 5.45 | -106.93 | 4 | 2 | 2 | 32 | 214.378 | 4 | ↓ |
