| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 19 | Yes |
Popular Name: (3S)-3-(2-aminoethyl)-4-(2,5-dimethoxyphenyl)-3H-1,2,4-triazol-5-one (3S)-3-(2-aminoethyl)-4-(2,5-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) | -0.07 | 1.72 | -57.18 | 4 | 7 | 1 | 97 | 265.293 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | 1.33 | -12.52 | 3 | 7 | 0 | 95 | 264.285 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
