| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 17 | Yes |
Popular Name: N-methyl-N-[(3-phenylisoxazol-5-yl)methyl]ethane-1,2-diamine N-methyl-N-[(3-phenylisoxazol-5-…
| 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) | 0.94 | 5.2 | -127.62 | 4 | 4 | 2 | 58 | 233.315 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 2.86 | -50.63 | 3 | 4 | 1 | 57 | 232.307 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
