In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 21 | Yes |
Popular Name: 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazin-3-yl]-N,N-dimethyl-aniline 4-[(3R)-1,1-dioxo-3,4-dihydro-2H…
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) | 2.35 | 3.42 | -14.5 | 2 | 5 | 0 | 61 | 303.387 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 2.75 | -48.33 | 1 | 5 | -1 | 64 | 302.379 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 4.18 | -52.94 | 3 | 5 | 0 | 63 | 304.395 | 2 | ↓ |