| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]methyl]thiazol-2-amine 4-[[[(3S)-1,1-dioxothiolan-3-yl]…
| 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) | 0.04 | -1.49 | -15.05 | 2 | 5 | 0 | 76 | 261.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | -0.78 | -42.39 | 3 | 5 | 1 | 78 | 262.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 0.99 | -53.62 | 3 | 5 | 1 | 77 | 262.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
