In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 20 | Yes |
Popular Name: 4-[(2S)-3-(4-tert-butylphenyl)-2-methyl-propyl]morpholine 4-[(2S)-3-(4-tert-butylphenyl)-2…
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) | 4.45 | 8.29 | -2.84 | 0 | 2 | 0 | 12 | 275.436 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 10.31 | -36.15 | 1 | 2 | 1 | 14 | 276.444 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4241058 | IBM Patent Data |