| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | Yes |
Popular Name: N-[(S)-1-isoquinolyl-(1-methylimidazol-2-yl)methyl]ethanamine N-[(S)-1-isoquinolyl-(1-methylim…
| 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 | 6.48 | -27.62 | 2 | 4 | 1 | 44 | 267.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 6.62 | -29.78 | 2 | 4 | 1 | 44 | 267.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.99 | -13.37 | 1 | 4 | 0 | 43 | 266.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 6.92 | -82.28 | 3 | 4 | 2 | 45 | 268.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 7.07 | -36.11 | 2 | 4 | 1 | 47 | 267.356 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
