| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2009 | 34 | Yes |
(2s,3s)-2-(diphenylmethyl)-n-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine
(2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
147116-64-1; D04122; Ezlopitant (USAN/INN)
2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
| 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) | 6.82 | 15.05 | -33.33 | 2 | 3 | 1 | 26 | 455.666 | 8 | ↓ |
