In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 21 | Yes |
Popular Name: N-[[2-[(2-methylimidazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[(2-methylimidazol-1-yl)me…
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) | 2.61 | 9.94 | -101.38 | 3 | 4 | 2 | 49 | 285.391 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 9.46 | -55.06 | 2 | 4 | 1 | 48 | 284.383 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.