In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 29 | Yes |
Popular Name: 1-benzyl-N-[(3-chloro-5-ethoxy-4-propoxy-phenyl)methyl]piperidin-4-amine 1-benzyl-N-[(3-chloro-5-ethoxy-4…
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) | 5.02 | 13.73 | -126.54 | 3 | 4 | 2 | 40 | 419.009 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.02 | 12.43 | -42.69 | 2 | 4 | 1 | 35 | 418.001 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.02 | 11.33 | -51.06 | 2 | 4 | 1 | 38 | 418.001 | 10 | ↓ |