In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2004 | 26 | Yes |
Popular Name: 1-(azepan-1-yl)-4-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethyl-butan-1-one 1-(azepan-1-yl)-4-(1,1-diketo-4H…
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) | 3.28 | 7.94 | -34.79 | 1 | 6 | 0 | 79 | 377.51 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.63 | -2.67 | -44.65 | 0 | 6 | -1 | 80 | 376.502 | 4 | ↓ |