| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 19 | Yes |
Popular Name: N-[[5-(benzotriazol-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(benzotriazol-1-ylmethyl)i…
| 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) | 1.85 | 4.7 | -55.79 | 2 | 6 | 1 | 73 | 258.305 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 3.32 | -14.91 | 1 | 6 | 0 | 69 | 257.297 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
