| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]-methyl-amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1S,2R)-2-amino-1-(3-methyl-…
| 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) | 1.16 | 4.58 | -52.72 | 3 | 4 | 1 | 51 | 296.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 4.16 | -9.25 | 2 | 4 | 0 | 50 | 295.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 5.85 | -36.23 | 3 | 4 | 1 | 51 | 296.46 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 6.16 | -121.52 | 4 | 4 | 2 | 52 | 297.468 | 5 | ↓ |
