| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: [(3S)-1-[(1S)-2-amino-1-(5-bromo-2-thienyl)ethyl]-3-piperidyl]methanol [(3S)-1-[(1S)-2-amino-1-(5-bromo…
| 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) | 1.70 | 1.16 | -50.16 | 4 | 3 | 1 | 51 | 320.276 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 1.05 | -4.63 | 3 | 3 | 0 | 49 | 319.268 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 2.62 | -33.83 | 4 | 3 | 1 | 51 | 320.276 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 3.32 | -126.64 | 5 | 3 | 2 | 52 | 321.284 | 4 | ↓ |
