| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (3S)-1-[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]piperidine-3-carboxamide (3S)-1-[(1S,2R)-2-amino-1-(5-bro…
| 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) | 2.00 | 2.42 | -44.74 | 5 | 4 | 1 | 74 | 361.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 1.38 | -8.29 | 4 | 4 | 0 | 72 | 360.321 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 3.81 | -35.72 | 5 | 4 | 1 | 74 | 361.329 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 4.14 | -117.29 | 6 | 4 | 2 | 75 | 362.337 | 5 | ↓ |
