| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-N1-(2-methoxyethyl)-N1-methyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1S,2R)-N1-(2-methoxyethyl)-N1-m…
| 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) | 1.93 | 4.96 | -29.46 | 3 | 3 | 1 | 40 | 257.423 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 3.17 | -2.88 | 2 | 3 | 0 | 38 | 256.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 3.46 | -40.09 | 3 | 3 | 1 | 40 | 257.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 5.26 | -108.35 | 4 | 3 | 2 | 41 | 258.431 | 7 | ↓ |
