| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: N-[(1S)-1-(3-chloro-4-imidazol-1-yl-phenyl)ethyl]propan-1-amine N-[(1S)-1-(3-chloro-4-imidazol-1…
| 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) | 3.08 | 9.68 | -49.39 | 2 | 3 | 1 | 34 | 264.78 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 8.58 | -5.7 | 1 | 3 | 0 | 30 | 263.772 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 9.93 | -85.38 | 3 | 3 | 2 | 36 | 265.788 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
