| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 20 | Yes |
Popular Name: 3-amino-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzonitrile 3-amino-4-[(2S)-2-(3-pyridyl)pyr…
| 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 | 7.17 | -7.11 | 2 | 4 | 0 | 66 | 264.332 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 7.64 | -37.49 | 3 | 4 | 1 | 67 | 265.34 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
