| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (4S)-1,1-dioxo-N-(2-pyridylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-(2-pyridylmethy…
| 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) | 0.40 | 4.15 | -60.14 | 2 | 4 | 1 | 64 | 289.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 2.96 | -13.84 | 1 | 4 | 0 | 59 | 288.372 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 3.37 | -45.84 | 2 | 4 | 1 | 60 | 289.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
