| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 18 | Yes |
Popular Name: (2S)-N-[(2-chloro-4-fluoro-phenyl)methyl]-1-imidazol-1-yl-propan-2-amine (2S)-N-[(2-chloro-4-fluoro-pheny…
| 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) | 2.28 | 8.93 | -45.13 | 2 | 3 | 1 | 34 | 268.743 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 7.66 | -6.48 | 1 | 3 | 0 | 30 | 267.735 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 9.45 | -105.23 | 3 | 3 | 2 | 36 | 269.751 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
