| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | Yes |
Popular Name: [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine [1-[(4-methyl-1,2,5-oxadiazol-3-…
| 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) | -0.20 | 1.4 | -53.8 | 3 | 6 | 1 | 84 | 194.218 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 1 | -16.23 | 2 | 6 | 0 | 83 | 193.21 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 2.34 | -111.47 | 4 | 6 | 2 | 86 | 195.226 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 1.65 | -40.66 | 3 | 6 | 1 | 84 | 194.218 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
