| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)propyl]-methyl-amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1R,2S)-2-amino-1-(5-chloro-…
| 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) | 1.59 | 4.59 | -51.12 | 3 | 4 | 1 | 51 | 316.878 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.29 | -6.84 | 2 | 4 | 0 | 50 | 315.87 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 6.03 | -37.36 | 3 | 4 | 1 | 51 | 316.878 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.59 | 6.32 | -122.24 | 4 | 4 | 2 | 52 | 317.886 | 5 | ↓ |
