In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 22 | Yes |
Popular Name: N-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methyl]-N-methyl-cycloheptanamine N-[(1,1-dioxo-2H-benzo[e][1,2,4]…
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) | 3.26 | 4.49 | -20.64 | 1 | 5 | 0 | 62 | 321.446 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 4.1 | -39.29 | 0 | 5 | -1 | 64 | 320.438 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.26 | 6.82 | -57.13 | 2 | 5 | 1 | 63 | 322.454 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 6.41 | -33.57 | 1 | 5 | 0 | 65 | 321.446 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.