| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(3-methyl-2-thienyl)propyl]piperidine-3-carboxamide (3S)-1-[(1R,2S)-2-amino-1-(3-met…
| 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) | 0.91 | 1.3 | -47.05 | 5 | 4 | 1 | 74 | 282.433 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 1.11 | -8.47 | 4 | 4 | 0 | 72 | 281.425 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 3.13 | -116.29 | 6 | 4 | 2 | 75 | 283.441 | 4 | ↓ |
