| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-ethyl-N1-[(1S)-1-methylpropyl]-1-(3-methyl-2-thienyl)butane-1,2-diamine (1R,2R)-N1-ethyl-N1-[(1S)-1-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) | 3.53 | 4.82 | -38.6 | 3 | 2 | 1 | 31 | 269.478 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 4.53 | -0.75 | 2 | 2 | 0 | 29 | 268.47 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 7.15 | -27.14 | 3 | 2 | 1 | 30 | 269.478 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 7.4 | -96.73 | 4 | 2 | 2 | 32 | 270.486 | 7 | ↓ |
