In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 27 | Yes |
Popular Name: 3-butyl-7-ethyl-8-[[methyl-[(1R)-1-(2-thienyl)ethyl]amino]methyl]purine-2,6-dione 3-butyl-7-ethyl-8-[[methyl-[(1R)…
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) | 2.63 | 10.35 | -44.45 | 2 | 7 | 1 | 77 | 390.533 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 7.92 | -7.5 | 1 | 7 | 0 | 76 | 389.525 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.