| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-N1-methyl-1-(3-methyl-2-thienyl)-N1-(2-thienylmethyl)propane-1,2-diamine (1R,2S)-N1-methyl-1-(3-methyl-2-…
| 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) | 2.70 | 5.67 | -35.81 | 3 | 2 | 1 | 31 | 281.47 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.94 | -2.77 | 2 | 2 | 0 | 29 | 280.462 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 7.09 | -29.54 | 3 | 2 | 1 | 30 | 281.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 7.42 | -111.92 | 4 | 2 | 2 | 32 | 282.478 | 5 | ↓ |
