| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: (4S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-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) | 0.18 | 6.14 | -67.8 | 2 | 5 | 1 | 69 | 306.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 5.39 | -16.58 | 1 | 5 | 0 | 64 | 305.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 6.65 | -130.74 | 3 | 5 | 2 | 70 | 307.419 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 5.9 | -49.8 | 2 | 5 | 1 | 65 | 306.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
