| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 17 | Yes |
Popular Name: (2R)-1-[(1S)-2-amino-1-(4-bromo-2-thienyl)ethyl]pyrrolidine-2-carboxamide (2R)-1-[(1S)-2-amino-1-(4-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) | 1.05 | 1.2 | -30.45 | 5 | 4 | 1 | 74 | 319.248 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | -0.22 | -10.5 | 4 | 4 | 0 | 72 | 318.24 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 0.74 | -27.75 | 4 | 4 | 0 | 77 | 318.24 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | -0.05 | -62.2 | 5 | 4 | 1 | 74 | 319.248 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 1.58 | -110.54 | 6 | 4 | 2 | 75 | 320.256 | 4 | ↓ |
