In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 20 | No |
Popular Name: 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethyl-pyridine-2-carboxamide 4-[(1,1-dioxothian-4-yl)amino]-N…
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) | 0.86 | 1.82 | -19.27 | 1 | 6 | 0 | 79 | 297.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 1.88 | -26.09 | 2 | 6 | 0 | 81 | 298.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.