| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 24 | No |
Popular Name: 4-[(E)-(3-butyl-5-sulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenol 4-[(E)-(3-butyl-5-sulfanyl-1,2,4…
| 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) | 2.79 | 8.48 | -52.79 | 1 | 9 | -1 | 118 | 350.38 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 9.54 | -97.85 | 0 | 9 | -2 | 121 | 349.372 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 9.22 | -49.27 | 1 | 9 | -1 | 124 | 350.38 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
