In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 21 | Yes |
Popular Name: 2-[3-[(benzylamino)methyl]phenoxy]-N,N-dimethyl-ethanamine 2-[3-[(benzylamino)methyl]phenox…
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) | 2.96 | 10.03 | -90.35 | 3 | 3 | 2 | 30 | 286.419 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 8.61 | -36.01 | 2 | 3 | 1 | 26 | 285.411 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 7.42 | -43.63 | 2 | 3 | 1 | 29 | 285.411 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 6.01 | -4.81 | 1 | 3 | 0 | 24 | 284.403 | 8 | ↓ |