| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-N1-(1-ethylpropyl)-N1-methyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1S,2R)-N1-(1-ethylpropyl)-N1-me…
| 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) | 3.69 | 6.09 | -38.27 | 3 | 2 | 1 | 31 | 269.478 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 5.79 | -1.63 | 2 | 2 | 0 | 29 | 268.47 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 7.16 | -25.91 | 3 | 2 | 1 | 30 | 269.478 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 7.46 | -102.36 | 4 | 2 | 2 | 32 | 270.486 | 7 | ↓ |
