In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 15 | Yes |
Popular Name: N-[(5-bromo-2-pyridyl)methyl]-1-methyl-cyclopentanamine N-[(5-bromo-2-pyridyl)methyl]-1-…
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) | 3.15 | 6.3 | -36.73 | 2 | 2 | 1 | 29 | 270.194 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 5.1 | -2.29 | 1 | 2 | 0 | 25 | 269.186 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.