| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-[(5-chloro-2-thienyl)methyl]-N1-methyl-1-(p-tolyl)butane-1,2-diamine (1S,2S)-N1-[(5-chloro-2-thienyl)…
| 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) | 4.21 | 9.81 | -124.68 | 4 | 2 | 2 | 32 | 324.921 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 8.32 | -45.73 | 3 | 2 | 1 | 31 | 323.913 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 9.48 | -35.96 | 3 | 2 | 1 | 30 | 323.913 | 6 | ↓ |
