| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (2R)-1-[(1S,2S)-2-amino-1-(5-chloro-2-thienyl)propyl]pyrrolidine-2-carboxamide (2R)-1-[(1S,2S)-2-amino-1-(5-chl…
| 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) | 1.51 | 1.47 | -30.13 | 5 | 4 | 1 | 74 | 288.824 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | -0.3 | -11.25 | 4 | 4 | 0 | 72 | 287.816 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 1.13 | -31.25 | 4 | 4 | 0 | 77 | 287.816 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | -0.04 | -54.98 | 5 | 4 | 1 | 74 | 288.824 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 1.8 | -108.1 | 6 | 4 | 2 | 75 | 289.832 | 4 | ↓ |
