| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: N-[(S)-(1-methylimidazol-2-yl)-(8-quinolyl)methyl]ethanamine N-[(S)-(1-methylimidazol-2-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) | 1.77 | 7.45 | -25.23 | 2 | 4 | 1 | 44 | 267.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 6.57 | -10.32 | 1 | 4 | 0 | 43 | 266.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 7.7 | -33.43 | 2 | 4 | 1 | 47 | 267.356 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 8.48 | -98.52 | 3 | 4 | 2 | 49 | 268.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
