In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2010 | 18 | Yes |
Popular Name: (1R)-1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-ethanamine (1R)-1-[3-[(3,5-dimethylphenyl)m…
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) | 2.94 | 5.27 | -43.11 | 2 | 4 | 1 | 56 | 246.334 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 4.01 | -7.06 | 1 | 4 | 0 | 51 | 245.326 | 4 | ↓ |