In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2011 | 23 | Yes |
Popular Name: 1-[[2-(cyclopentoxy)-4-pyridyl]methyl]-2,4-dioxo-pyrimidine-5-carbonitrile 1-[[2-(cyclopentoxy)-4-pyridyl]m…
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) | 1.63 | 2.07 | -56.44 | 0 | 7 | -1 | 104 | 311.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 4.8 | -22.43 | 1 | 7 | 0 | 101 | 312.329 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.