| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (2R)-1-[(1R,2S)-2-amino-1-(5-bromo-2-thienyl)butyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(1R,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) | 1.99 | 4.36 | -32.23 | 4 | 4 | 1 | 60 | 361.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 2.56 | -41.83 | 4 | 4 | 1 | 60 | 361.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 2.56 | -3.93 | 3 | 4 | 0 | 58 | 360.321 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 4.68 | -105.64 | 5 | 4 | 2 | 61 | 362.337 | 5 | ↓ |
