In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 20 | No |
Popular Name: [3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzothiophen-2-yl]methanamine [3-[(1,1-dioxo-1,4-thiazinan-4-y…
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) | 1.32 | 1.39 | -62.57 | 3 | 4 | 1 | 65 | 311.452 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.32 | 3.74 | -149.45 | 4 | 4 | 2 | 66 | 312.46 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.