| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1-ethyl-N1-methyl-butane-1,2-diamine (1S,2R)-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) | 2.74 | 4.48 | -43.32 | 3 | 2 | 1 | 31 | 247.815 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 4.44 | -1.39 | 2 | 2 | 0 | 29 | 246.807 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 5.91 | -34.25 | 3 | 2 | 1 | 30 | 247.815 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 6.21 | -114.73 | 4 | 2 | 2 | 32 | 248.823 | 5 | ↓ |
