In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 20 | Yes |
Popular Name: N-ethyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine N-ethyl-2-pyrimidin-4-yl-6,7,8,9…
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) | 2.34 | 7.49 | -9.88 | 1 | 5 | 0 | 64 | 269.352 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 8.01 | -23.45 | 2 | 5 | 1 | 65 | 270.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.