| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 20 | Yes |
Popular Name: (3S)-3-ethyl-N-(5-isoquinolyl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(5-isoquinolyl)py…
| 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) | 2.05 | 5.27 | -47.1 | 3 | 4 | 1 | 59 | 270.356 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 5.74 | -86.94 | 4 | 4 | 2 | 60 | 271.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
