| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2011 | 23 | Yes |
Popular Name: 4-amino-N3-isobutyl-N5-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide 4-amino-N3-isobutyl-N5-(3-pyridy…
| 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) | 0.62 | 1.31 | -8.75 | 4 | 7 | 0 | 110 | 333.417 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.62 | 1.78 | -42.48 | 5 | 7 | 1 | 111 | 334.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
