| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-isobutyl-N1-(2-methoxyethyl)-1-(3-methyl-2-thienyl)propane-1,2-diamine (1S,2R)-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) | 2.51 | 6.04 | -28.93 | 3 | 3 | 1 | 40 | 285.477 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 4.79 | -1.94 | 2 | 3 | 0 | 38 | 284.469 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 3.62 | -33.25 | 3 | 3 | 1 | 40 | 285.477 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 6.37 | -117.53 | 4 | 3 | 2 | 41 | 286.485 | 8 | ↓ |
