| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 15 | Yes |
Popular Name: 2-[4-(1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]ethanamine 2-[4-(1,3,4-thiadiazol-2-yl)-1,4…
| 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) | -0.28 | 1.76 | -50.43 | 3 | 5 | 1 | 60 | 228.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 3.56 | -126.05 | 4 | 5 | 2 | 61 | 229.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 3.17 | -41.1 | 3 | 5 | 1 | 59 | 228.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 1.38 | -7.84 | 2 | 5 | 0 | 58 | 227.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
