In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | Yes |
Popular Name: 2-[(4-bromo-2-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-bromo-2-methyl-anilino)met…
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) | 3.29 | 6.21 | -12.74 | 2 | 4 | 0 | 58 | 350.241 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 3.55 | -45.54 | 1 | 4 | -1 | 61 | 349.233 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.