In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 25 | Yes |
Popular Name: 7-benzyl-2-isopropyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-benzyl-2-isopropyl-4-pyrrolidi…
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) | 3.41 | 11.73 | -106.06 | 2 | 4 | 2 | 35 | 338.499 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 9.04 | -6.73 | 0 | 4 | 0 | 32 | 336.483 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 9.4 | -26.31 | 1 | 4 | 1 | 34 | 337.491 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 11.37 | -45.09 | 1 | 4 | 1 | 33 | 337.491 | 4 | ↓ |