| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 22 | Yes |
Popular Name: (2S,4R)-4-amino-N-ethyl-1-(5-isoquinolylmethyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-ethyl-1-(5-iso…
| 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) | 0.27 | 2.29 | -61.11 | 4 | 5 | 1 | 73 | 299.398 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | 2 | -11.47 | 3 | 5 | 0 | 71 | 298.39 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | 2.76 | -91.63 | 5 | 5 | 2 | 74 | 300.406 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
