| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 16 | Yes |
Popular Name: (1S)-1-(3-chloro-4-imidazol-1-yl-phenyl)-N-methyl-ethanamine (1S)-1-(3-chloro-4-imidazol-1-yl…
| 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 | 8.06 | -49.68 | 2 | 3 | 1 | 34 | 236.726 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 6.9 | -5.2 | 1 | 3 | 0 | 30 | 235.718 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 8.32 | -84.7 | 3 | 3 | 2 | 36 | 237.734 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
