| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 17 | Yes |
Popular Name: (3S)-3-(2-aminoethyl)-4-(2,3-dimethylphenyl)-3H-1,2,4-triazol-5-one (3S)-3-(2-aminoethyl)-4-(2,3-dim…
| 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) | 0.48 | 4.45 | -56.02 | 4 | 5 | 1 | 78 | 233.295 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 4.06 | -9.42 | 3 | 5 | 0 | 77 | 232.287 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
