| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 15 | Yes |
Popular Name: 3-[(1S)-1-amino-2-phenyl-ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-amino-2-phenyl-ethyl]-…
| 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) | -1.57 | 1.08 | -53.51 | 5 | 5 | 1 | 89 | 205.241 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.57 | 0.76 | -8.55 | 4 | 5 | 0 | 88 | 204.233 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
