| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: 1-[5-(indolin-1-ylmethyl)isoxazol-3-yl]-N-methyl-methanamine 1-[5-(indolin-1-ylmethyl)isoxazo…
| 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) | 1.95 | 6.54 | -46.27 | 2 | 4 | 1 | 46 | 244.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 5.09 | -8.44 | 1 | 4 | 0 | 41 | 243.31 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
