In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 22 | Yes |
Popular Name: (1R)-1-(benzofuran-2-yl)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]ethanamine (1R)-1-(benzofuran-2-yl)-N-[(5-m…
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) | 2.80 | 6.41 | -42.66 | 2 | 5 | 1 | 57 | 300.382 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 5.18 | -9.05 | 1 | 5 | 0 | 52 | 299.374 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.