| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | Yes |
Popular Name: 5-amino-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]benzonitrile 5-amino-2-[(3S)-3-pyrrolidin-1-y…
| 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) | 1.35 | 7.32 | -35.34 | 3 | 4 | 1 | 57 | 257.361 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.01 | -7.15 | 2 | 4 | 0 | 56 | 256.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
