| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: 2-[(3S)-5-[(E)-2-(4-chlorophenyl)vinyl]-3H-1,2,4-triazol-3-yl]phenol 2-[(3S)-5-[(E)-2-(4-chlorophenyl…
| 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) | 4.51 | 5.43 | -37.45 | 2 | 4 | 1 | 59 | 298.753 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 6.17 | -115.6 | 3 | 4 | 2 | 61 | 299.761 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
