In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 20 | Yes |
Popular Name: [4-(methylamino)-2-pyridyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone [4-(methylamino)-2-pyridyl]-[(3R…
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) | 0.95 | 5.81 | -39.62 | 2 | 5 | 1 | 50 | 275.376 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.95 | 5.96 | -87.2 | 3 | 5 | 2 | 51 | 276.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.