| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | Yes |
Popular Name: 6-[[(3S)-azepan-3-yl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(3S)-azepan-3-yl]amino]-2H-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) | -0.90 | -1.08 | -48.08 | 5 | 7 | 1 | 107 | 226.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | -2.74 | -58.8 | 4 | 7 | 0 | 110 | 225.252 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
