| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(3-isopropyl-1-methyl-py…
| 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) | 0.94 | 3.3 | -60.67 | 2 | 5 | 1 | 69 | 286.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 2.12 | -15.26 | 1 | 5 | 0 | 64 | 285.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
