| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 25 | Yes |
Popular Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-(2-dimethylaminoethyl)isothiazole-3,5-dicarboxamide 4-amino-N3-[(2-chlorophenyl)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) | 1.40 | 3.28 | -44.83 | 5 | 7 | 1 | 102 | 382.897 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 0.81 | -9.02 | 4 | 7 | 0 | 100 | 381.889 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
