| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 20 | No |
Popular Name: (2S)-1-[1-[2-(4-nitrophenyl)ethyl]imidazol-2-yl]propan-2-amine (2S)-1-[1-[2-(4-nitrophenyl)ethy…
| 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) | 1.25 | 7.69 | -49.67 | 3 | 6 | 1 | 91 | 275.332 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 7.32 | -13.34 | 2 | 6 | 0 | 90 | 274.324 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 8.2 | -124.2 | 4 | 6 | 2 | 93 | 276.34 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
