| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 25 | No |
Popular Name: 1-(3-ethynylphenyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine 1-(3-ethynylphenyl)-2-[(2,3,4-tr…
| 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) | 2.08 | 8.77 | -37.68 | 4 | 6 | 1 | 80 | 340.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 8.2 | -13.5 | 3 | 6 | 0 | 78 | 339.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 8.28 | -14.65 | 3 | 6 | 0 | 78 | 339.395 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
