| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2011 | 23 | Yes |
Popular Name: 4-amino-3-(4-fluorophenyl)-N-(4-pyridylmethyl)isothiazole-5-carboxamide 4-amino-3-(4-fluorophenyl)-N-(4-…
| 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) | 1.85 | 4.23 | -7.89 | 3 | 5 | 0 | 81 | 328.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 4.69 | -40.9 | 4 | 5 | 1 | 82 | 329.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
