| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1-[(5-chloro-2-thienyl)methyl]-N1-methyl-butane-1,2-diamine (1S,2S)-1-(5-chloro-2-thienyl)-N…
| 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) | 4.47 | 9.11 | -123.87 | 4 | 2 | 2 | 32 | 351.368 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 6.49 | -1.66 | 2 | 2 | 0 | 29 | 349.352 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 8.8 | -41.63 | 3 | 2 | 1 | 30 | 350.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 6.81 | -46.92 | 3 | 2 | 1 | 31 | 350.36 | 6 | ↓ |
