| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N1-methyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1R,2S)-N1-ethyl-N1-methyl-1-(3-…
| 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) | 2.32 | 4.42 | -39.37 | 3 | 2 | 1 | 31 | 227.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 4.38 | -1.65 | 2 | 2 | 0 | 29 | 226.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 5.8 | -30.76 | 3 | 2 | 1 | 30 | 227.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 6.14 | -106.78 | 4 | 2 | 2 | 32 | 228.405 | 5 | ↓ |
