| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: (1S)-1-(5-bromo-2-furyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-furyl)-N-[(3S)…
| 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) | 0.44 | -0.06 | -60.83 | 3 | 5 | 1 | 78 | 338.247 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 1.83 | -152.31 | 4 | 5 | 2 | 79 | 339.255 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 1.37 | -48.39 | 3 | 5 | 1 | 78 | 338.247 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
