In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 23rd, 2008 | 30 | Yes |
Popular Name: N-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]BLAHcarboxamide N-dimethyl-N-[(4-oxo-3H-thieno[3…
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) | 1.44 | 8.69 | -27.69 | 1 | 8 | 0 | 97 | 422.514 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 7.63 | -63.1 | 0 | 8 | -1 | 100 | 421.506 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.