In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 22 | Yes |
Popular Name: 2-(ethylaminomethyl)-5-(2-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-(ethylaminomethyl)-5-(2-methox…
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) | 2.52 | 6.28 | -54.43 | 3 | 5 | 1 | 72 | 316.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 4.25 | -20.59 | 2 | 5 | 0 | 67 | 315.398 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 3.93 | -46.91 | 2 | 5 | 0 | 75 | 315.398 | 5 | ↓ |