In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 26 | Yes |
Popular Name: 1-benzyl-N-[(5-bromo-2-propoxy-phenyl)methyl]piperidin-4-amine 1-benzyl-N-[(5-bromo-2-propoxy-p…
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) | 4.99 | 12.97 | -111.55 | 3 | 3 | 2 | 30 | 419.407 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.99 | 11.67 | -37.13 | 2 | 3 | 1 | 26 | 418.399 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.99 | 10.55 | -38.22 | 2 | 3 | 1 | 29 | 418.399 | 8 | ↓ |