| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 14 | No |
Popular Name: 5-(4-methyl-1,4-diazepan-1-yl)-1,3,4-thiadiazole-2-thiol 5-(4-methyl-1,4-diazepan-1-yl)-1…
| 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) | 1.44 | 6 | -65.04 | 1 | 4 | 0 | 33 | 230.362 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 4.01 | -42.75 | 0 | 4 | -1 | 32 | 229.354 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
