In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 24 | Yes |
Popular Name: 3-[[methyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]methyl]benzamide 3-[[methyl-[(1-methyl-4-oxo-5H-p…
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) | -0.36 | 2.27 | -19.21 | 3 | 8 | 0 | 110 | 326.36 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.36 | 4.58 | -64.57 | 4 | 8 | 1 | 111 | 327.368 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.