| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 14 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1,N1-dimethyl-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) | 2.37 | 3.07 | -41.81 | 3 | 2 | 1 | 31 | 233.788 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 2.89 | -1.42 | 2 | 2 | 0 | 29 | 232.78 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 5.34 | -32.9 | 3 | 2 | 1 | 30 | 233.788 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 5.74 | -114.19 | 4 | 2 | 2 | 32 | 234.796 | 4 | ↓ |
