In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 18 | Yes |
Popular Name: (1R)-1-[3-bromo-4-(3-pyridyloxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(3-pyridyloxy)…
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) | 3.48 | 6.83 | -44.58 | 2 | 3 | 1 | 39 | 308.199 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 5.66 | -5.5 | 1 | 3 | 0 | 34 | 307.191 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.