In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 26 | No |
Popular Name: N-[(1-methylimidazol-2-yl)methyl]-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine N-[(1-methylimidazol-2-yl)methyl…
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) | 1.70 | 10.41 | -46.92 | 3 | 9 | 1 | 118 | 350.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 9.96 | -16.63 | 2 | 9 | 0 | 117 | 349.354 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.