| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 17 | No |
Popular Name: N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,4-dithiepan-6-amine N-[(1S)-1-(2-ethyl-1,2,4-triazol…
| 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) | 0.96 | 6.12 | -6.92 | 1 | 4 | 0 | 43 | 272.443 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 7.13 | -43.08 | 2 | 4 | 1 | 47 | 273.451 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
