In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2008 | 21 | Yes |
Popular Name: N-[[5-bromo-2-(3-pyridylmethoxy)phenyl]methyl]butan-1-amine N-[[5-bromo-2-(3-pyridylmethoxy)…
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) | 4.09 | 9 | -40.57 | 2 | 3 | 1 | 39 | 350.28 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 9.28 | -93.93 | 3 | 3 | 2 | 40 | 351.288 | 8 | ↓ |