In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 24 | Yes |
Popular Name: 1-[4-(isobutylamino)-2-(3-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone 1-[4-(isobutylamino)-2-(3-pyridy…
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) | 1.75 | 7.55 | -11.12 | 1 | 6 | 0 | 71 | 325.416 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.75 | 7.88 | -36.74 | 2 | 6 | 1 | 72 | 326.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.