In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 29 | Yes |
Popular Name: 6-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-3,7-dimethyl-thiazolo[3,2-a]pyrimidin-5-one 6-[2-[4-(4-fluorobenzoyl)-1-pipe…
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) | 3.45 | 12.77 | -51.62 | 1 | 5 | 1 | 56 | 414.526 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 10.52 | -15.52 | 0 | 5 | 0 | 55 | 413.518 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 10.92 | -42.2 | 1 | 5 | 1 | 56 | 414.526 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 13.17 | -104.33 | 2 | 5 | 2 | 57 | 415.534 | 5 | ↓ |