| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (3S)-1-[(1S,2S)-2-amino-1-(4-bromo-2-thienyl)butyl]piperidine-3-carboxamide (3S)-1-[(1S,2S)-2-amino-1-(4-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) | 1.81 | 1.76 | -47.16 | 5 | 4 | 1 | 74 | 361.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 1.45 | -8.56 | 4 | 4 | 0 | 72 | 360.321 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 3.91 | -38.24 | 5 | 4 | 1 | 74 | 361.329 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.23 | -119.04 | 6 | 4 | 2 | 75 | 362.337 | 5 | ↓ |
