| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (3S)-2-(2-imidazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-(2-imidazol-1-ylethyl)-3,…
| 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) | -0.81 | 10.54 | -41.19 | 1 | 5 | 0 | 62 | 271.32 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 8.35 | -49.94 | 0 | 5 | -1 | 61 | 270.312 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.81 | 11.06 | -70.41 | 2 | 5 | 1 | 64 | 272.328 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
