In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 21 | Yes |
Popular Name: 3-[(3S)-1-benzylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile 3-[(3S)-1-benzylpyrrolidin-3-yl]…
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) | 1.95 | 6.19 | -44.36 | 1 | 5 | 1 | 63 | 281.339 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 3.76 | -11.46 | 0 | 5 | 0 | 62 | 280.331 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.