| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-isobutyl-N1-(2-methoxyethyl)-1-(5-methyl-2-thienyl)butane-1,2-diamine (1R,2S)-N1-isobutyl-N1-(2-methox…
| 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) | 2.89 | 7.45 | -27.99 | 3 | 3 | 1 | 40 | 299.504 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.97 | -39.05 | 3 | 3 | 1 | 40 | 299.504 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.79 | -2.05 | 2 | 3 | 0 | 38 | 298.496 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 7.75 | -99.14 | 4 | 3 | 2 | 41 | 300.512 | 9 | ↓ |
