| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-[(5-chloro-2-thienyl)methyl]-N1-methyl-1-(5-methyl-2-thienyl)butane-1,2-diamine (1R,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) | 3.89 | 9.15 | -118.21 | 4 | 2 | 2 | 32 | 330.95 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 6.98 | -1.73 | 2 | 2 | 0 | 29 | 328.934 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 6.96 | -47.13 | 3 | 2 | 1 | 31 | 329.942 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 8.83 | -32.92 | 3 | 2 | 1 | 30 | 329.942 | 6 | ↓ |
