| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (3S,6S)-1-[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)propyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[(1R,2R)-2-amino-1-(5-…
| 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) | 1.80 | 1.57 | -46.53 | 5 | 4 | 1 | 74 | 361.329 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 2.97 | -40.07 | 5 | 4 | 1 | 74 | 361.329 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 1.26 | -8.56 | 4 | 4 | 0 | 72 | 360.321 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 3.28 | -118.29 | 6 | 4 | 2 | 75 | 362.337 | 4 | ↓ |
