| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: 3-[4-(1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine 3-[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) | -0.01 | 2.53 | -50.17 | 3 | 5 | 1 | 60 | 242.372 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 4.34 | -116.21 | 4 | 5 | 2 | 61 | 243.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
