| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 21 | Yes |
Popular Name: (1S)-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(1,1-dioxo-1,2-benzothia…
| 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) | -0.85 | 2.82 | -73.68 | 4 | 5 | 1 | 86 | 302.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 2.38 | -18.58 | 3 | 5 | 0 | 85 | 301.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
