| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | Yes |
Popular Name: (3S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-[(1S)-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 | 4.72 | -44.17 | 2 | 5 | 1 | 65 | 292.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 4.21 | -16.07 | 1 | 5 | 0 | 64 | 291.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.22 | -65.42 | 2 | 5 | 1 | 69 | 292.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.73 | -116.9 | 3 | 5 | 2 | 70 | 293.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
