In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 21 | Yes |
Popular Name: 3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-4H-benzo[e][1,2,4]thiadiazine 3-[(1-ethylimidazol-2-yl)sulfany…
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) | 1.79 | 5.52 | -21.46 | 1 | 6 | 0 | 76 | 322.415 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 6 | -52.59 | 2 | 6 | 1 | 78 | 323.423 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.11 | -42.8 | 0 | 6 | -1 | 78 | 321.407 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.