| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | No |
Popular Name: (1R)-N-[(3-nitrophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (1R)-N-[(3-nitrophenyl)methyl]-1…
| 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) | 2.21 | 8.31 | -55.91 | 2 | 6 | 1 | 80 | 289.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.19 | -13.84 | 1 | 6 | 0 | 76 | 288.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
