| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-N1-butyl-1-(5-chloro-2-thienyl)-N1-ethyl-propane-1,2-diamine (1S,2R)-N1-butyl-1-(5-chloro-2-t…
| 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) | 3.65 | 5.58 | -44.06 | 3 | 2 | 1 | 31 | 275.869 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 7.1 | -33.25 | 3 | 2 | 1 | 30 | 275.869 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 5.29 | -0.81 | 2 | 2 | 0 | 29 | 274.861 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 7.33 | -110.62 | 4 | 2 | 2 | 32 | 276.877 | 7 | ↓ |
