| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 21 | Yes |
Popular Name: (2S,4S)-4-amino-1-[2-[cyclopentyl(methyl)amino]acetyl]-N-ethyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[2-[cyclopenty…
| 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) | -0.44 | 3.36 | -111.81 | 5 | 6 | 2 | 81 | 298.431 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 0.92 | -14.52 | 3 | 6 | 0 | 79 | 296.415 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 3.08 | -39.02 | 4 | 6 | 1 | 80 | 297.423 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
