In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | Yes |
Popular Name: (2,6-dichloro-4-pyridyl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2,6-dichloro-4-pyridyl)-[(3R)-3…
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) | 1.80 | 5.72 | -47.17 | 1 | 4 | 1 | 38 | 289.186 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 3.33 | -7.42 | 0 | 4 | 0 | 36 | 288.178 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.