| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-1-[(2S)-2-ethylpyrrolidin-1-yl]butan-2-amine (1R,2R)-1-(5-chloro-2-thienyl)-1…
| 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) | 3.64 | 5.94 | -41.67 | 3 | 2 | 1 | 31 | 287.88 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 5.65 | -1.02 | 2 | 2 | 0 | 29 | 286.872 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 7.21 | -32.03 | 3 | 2 | 1 | 30 | 287.88 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 7.51 | -111.56 | 4 | 2 | 2 | 32 | 288.888 | 5 | ↓ |
