| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | Yes |
Popular Name: N-[[5-(pyrrolidin-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(pyrrolidin-1-ylmethyl)iso…
| 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) | 1.04 | 5.55 | -94.06 | 3 | 4 | 2 | 47 | 211.309 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 4.18 | -38.19 | 2 | 4 | 1 | 42 | 210.301 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
