| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 17 | Yes |
Popular Name: [5-(benzotriazol-1-ylmethyl)isoxazol-3-yl]methanamine [5-(benzotriazol-1-ylmethyl)isox…
| 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) | 1.10 | 1.97 | -53.46 | 3 | 6 | 1 | 84 | 230.251 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 1.56 | -11.37 | 2 | 6 | 0 | 83 | 229.243 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
