| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | Yes |
Popular Name: 3-(1,4-diazepan-1-ylmethyl)-4-methyl-1,2,5-oxadiazole 3-(1,4-diazepan-1-ylmethyl)-4-me…
| 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) | 0.23 | 1.13 | -48.86 | 2 | 5 | 1 | 59 | 197.262 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | -0.52 | -8.95 | 1 | 5 | 0 | 54 | 196.254 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.23 | 1.55 | -44.07 | 2 | 5 | 1 | 55 | 197.262 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
