| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2S)-2-amino-1-(5-bromo-2-thienyl)butyl]-cyclopentyl-amino]ethanol 2-[[(1S,2S)-2-amino-1-(5-bromo-2…
| 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) | 3.27 | 3.58 | -44.62 | 4 | 3 | 1 | 51 | 362.357 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 3.27 | -3.09 | 3 | 3 | 0 | 49 | 361.349 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 5.09 | -111.17 | 5 | 3 | 2 | 52 | 363.365 | 7 | ↓ |
