In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 18 | Yes |
Popular Name: (2-amino-6-chloro-4-pyridyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-6-chloro-4-pyridyl)-[(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) | 0.61 | 4.05 | -45.72 | 3 | 5 | 1 | 64 | 269.756 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 1.62 | -8.07 | 2 | 5 | 0 | 62 | 268.748 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.