| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-1,1-dioxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1R)-1-(1,3,5-…
| 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) | 0.67 | 3.04 | -54.49 | 2 | 5 | 1 | 69 | 286.421 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 2.28 | -18.09 | 1 | 5 | 0 | 64 | 285.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
