| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]ethanamine N-(cyclopropylmethyl)-N-[[3-(met…
| 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) | 1.51 | 6.42 | -94.68 | 3 | 4 | 2 | 47 | 225.336 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 4.96 | -40.02 | 2 | 4 | 1 | 42 | 224.328 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
