| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | No |
Popular Name: N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-(3-nitrophenyl)methanamine N-[[(2R)-3,4-dihydro-2H-pyran-2-…
| 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) | 2.22 | 7.43 | -53.89 | 2 | 5 | 1 | 72 | 249.29 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 6.09 | -7.82 | 1 | 5 | 0 | 67 | 248.282 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
