In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 15 | No |
Popular Name: 2-pyrrolidin-1-yl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one 2-pyrrolidin-1-yl-5,7-dihydro-3H…
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) | 1.53 | 6.31 | -9.03 | 1 | 4 | 0 | 49 | 223.301 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 4.33 | -47.12 | 0 | 4 | -1 | 52 | 222.293 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.