In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 23 | Yes |
Popular Name: (1S,2R)-1-(4-tert-butylphenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propan-1-ol (1S,2R)-1-(4-tert-butylphenyl)-3…
None
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) | 4.18 | 7 | -3.88 | 1 | 3 | 0 | 33 | 319.489 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 8.87 | -37.12 | 2 | 3 | 1 | 34 | 320.497 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4721786 | IBM Patent Data |