| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | Yes |
Popular Name: 5-chloro-2-[[(3R,4S)-4-methoxypyrrolidin-3-yl]amino]benzonitrile 5-chloro-2-[[(3R,4S)-4-methoxypy…
| 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) | 2.43 | 3.96 | -50.51 | 3 | 4 | 1 | 62 | 252.725 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 2.5 | -7.3 | 2 | 4 | 0 | 57 | 251.717 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
