| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (3S)-1-[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]piperidin-3-ol (3S)-1-[(1R)-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) | 0.76 | 0.3 | -45.59 | 4 | 3 | 1 | 51 | 241.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | -0.26 | -4.68 | 3 | 3 | 0 | 49 | 240.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 1.84 | -30.01 | 4 | 3 | 1 | 51 | 241.38 | 3 | ↓ |
