In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 22 | Yes |
Popular Name: 4-[(3-ethylimidazol-4-yl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic 4-[(3-ethylimidazol-4-yl)methyla…
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) | 1.54 | 9.88 | -68.37 | 2 | 7 | 0 | 97 | 317.374 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 9.37 | -49.43 | 1 | 7 | -1 | 96 | 316.366 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.