| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 15 | Yes |
Popular Name: 4-chloro-2-[[(3S)-pyrrolidin-3-yl]amino]benzonitrile 4-chloro-2-[[(3S)-pyrrolidin-3-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) | 2.73 | 4.6 | -43.89 | 3 | 3 | 1 | 52 | 222.699 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 3.14 | -4.67 | 2 | 3 | 0 | 48 | 221.691 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
