| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 18 | Yes |
Popular Name: (3S)-3-(2-aminoethyl)-4-(4-ethoxyphenyl)-3H-1,2,4-triazol-5-one (3S)-3-(2-aminoethyl)-4-(4-ethox…
| 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) | -0.10 | 3.2 | -56.94 | 4 | 6 | 1 | 88 | 249.294 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | 2.81 | -9.25 | 3 | 6 | 0 | 86 | 248.286 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
