| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | No |
Popular Name: (2S)-N-[(5-fluoro-2-nitro-phenyl)methyl]-1-imidazol-1-yl-propan-2-amine (2S)-N-[(5-fluoro-2-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) | 1.56 | 8.43 | -39.18 | 2 | 6 | 1 | 77 | 279.295 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 9.5 | -106.9 | 3 | 6 | 2 | 82 | 280.303 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 7.92 | -8.61 | 1 | 6 | 0 | 76 | 278.287 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 8.99 | -45.28 | 2 | 6 | 1 | 80 | 279.295 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
