| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | Yes |
Popular Name: (3S)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-[(1R)-2-imidazol-1-yl-1-m…
| 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) | 0.81 | 4.86 | -38.77 | 2 | 5 | 1 | 65 | 292.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.62 | -118.49 | 3 | 5 | 2 | 70 | 293.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.1 | -64.44 | 2 | 5 | 1 | 69 | 292.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 4.34 | -19.49 | 1 | 5 | 0 | 64 | 291.376 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
