| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-butyl-1-(5-chloro-2-thienyl)-N1-ethyl-butane-1,2-diamine (1R,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) | 4.18 | 5.84 | -42.98 | 3 | 2 | 1 | 31 | 289.896 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 5.57 | -1.75 | 2 | 2 | 0 | 29 | 288.888 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 7.61 | -33.91 | 3 | 2 | 1 | 30 | 289.896 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 7.91 | -113.89 | 4 | 2 | 2 | 32 | 290.904 | 8 | ↓ |
