| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 20 | Yes |
Popular Name: (3S)-3-(2-aminoethyl)-4-[4-(trifluoromethoxy)phenyl]-3H-1,2,4-triazol-5-one (3S)-3-(2-aminoethyl)-4-[4-(trif…
| 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) | 0.44 | 2.76 | -56.87 | 4 | 6 | 1 | 88 | 289.237 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 2.37 | -7.84 | 3 | 6 | 0 | 86 | 288.229 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
