In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 29 | Yes |
Popular Name: 4-[2-(4-methylpiperazin-1-yl)acetyl]-9-propoxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one 4-[2-(4-methylpiperazin-1-yl)ace…
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) | 2.69 | 10.31 | -47.82 | 1 | 7 | 1 | 67 | 400.499 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 8.01 | -19.43 | 0 | 7 | 0 | 66 | 399.491 | 5 | ↓ |