| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: (4S)-4-(2-methylimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (4S)-4-(2-methylimidazol-1-yl)-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) | 1.04 | 6.01 | -28.14 | 2 | 3 | 1 | 31 | 214.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 5.53 | -6.35 | 1 | 3 | 0 | 30 | 213.284 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 7.35 | -98.64 | 3 | 3 | 2 | 36 | 215.3 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
