| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 32 | No |
Popular Name: [2-[[4-(diethylamino)phenyl]methyl-[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]phenyl] [2-[[4-(diethylamino)phenyl]meth…
| 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) | 2.73 | 11.21 | -75.97 | 1 | 7 | 0 | 85 | 459.588 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 9.12 | -6.93 | 1 | 8 | 0 | 121 | 349.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 11.14 | -23.17 | 0 | 7 | 0 | 84 | 458.58 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
