| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 21 | Yes |
Popular Name: 3-[[4-(2-aminoethyl)-1-piperidyl]methyl]-1,2,3-benzotriazin-4-one 3-[[4-(2-aminoethyl)-1-piperidyl…
| 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 | 4.97 | -94.23 | 4 | 6 | 2 | 80 | 289.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 2.64 | -49.72 | 3 | 6 | 1 | 79 | 288.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
