| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | Yes |
Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-1-(1-isoquinolyl)-N-methyl-methanamine (1S)-1-(1-ethylimidazol-2-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) | 2.16 | 6.23 | -29.31 | 2 | 4 | 1 | 44 | 267.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 6.94 | -25.85 | 2 | 4 | 1 | 44 | 267.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 7.4 | -82.58 | 3 | 4 | 2 | 45 | 268.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.72 | -13.15 | 1 | 4 | 0 | 43 | 266.348 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 7.11 | -37.89 | 2 | 4 | 1 | 47 | 267.356 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
