| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3S)-N-[(6-methyl-3-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(6-methyl-3-pyridyl)meth…
| 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) | 0.10 | 2.5 | -61.07 | 2 | 4 | 1 | 64 | 255.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 1.31 | -14.65 | 1 | 4 | 0 | 59 | 254.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 2.94 | -124.27 | 3 | 4 | 2 | 65 | 256.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
