| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | No |
Popular Name: (2S)-N-[(2-bromo-4-nitro-phenyl)methyl]-1-imidazol-1-yl-propan-2-amine (2S)-N-[(2-bromo-4-nitro-phenyl)…
| 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) | 2.20 | 8.38 | -9.34 | 1 | 6 | 0 | 76 | 339.193 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 9.68 | -53.96 | 2 | 6 | 1 | 80 | 340.201 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 8.9 | -42.5 | 2 | 6 | 1 | 77 | 340.201 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 10.19 | -117.08 | 3 | 6 | 2 | 82 | 341.209 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
