In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 28 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-5-[2-(4-methoxyanilino)pyrimidin-4-yl]thiophene-2-carboxamide N-(2-dimethylaminoethyl)-5-[2-(4…
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) | 3.30 | 9.42 | -48.62 | 3 | 7 | 1 | 81 | 398.512 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 6.95 | -12.16 | 2 | 7 | 0 | 79 | 397.504 | 8 | ↓ |