In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 31 | Yes |
Popular Name: 6-[4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]butanoylamino]hexanoic 6-[4-[(6-methyl-5-phenyl-thieno[…
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) | 3.67 | 12.2 | -52.87 | 2 | 7 | -1 | 107 | 439.561 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 10.22 | -16.26 | 3 | 7 | 0 | 104 | 440.569 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.