| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (2R)-1-[(1S,2S)-2-amino-1-(5-bromo-2-thienyl)propyl]pyrrolidine-2-carboxamide (2R)-1-[(1S,2S)-2-amino-1-(5-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) | 1.65 | 1.57 | -30.15 | 5 | 4 | 1 | 74 | 333.275 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | -0.2 | -11.31 | 4 | 4 | 0 | 72 | 332.267 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 1.23 | -31.23 | 4 | 4 | 0 | 77 | 332.267 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 0.06 | -55.09 | 5 | 4 | 1 | 74 | 333.275 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 1.9 | -108.46 | 6 | 4 | 2 | 75 | 334.283 | 4 | ↓ |
