| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | No |
Popular Name: (1S)-1-(3-bromophenyl)-N'-[(3R)-1,1-dioxothiolan-3-yl]-N,N'-dimethyl-propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-[(3R)-…
| 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) | 1.38 | 3.92 | -58.98 | 2 | 4 | 1 | 54 | 376.34 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 2.8 | -12.66 | 1 | 4 | 0 | 49 | 375.332 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 5.07 | -60.65 | 2 | 4 | 1 | 51 | 376.34 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 6.17 | -146.98 | 3 | 4 | 2 | 55 | 377.348 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
