In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (1S)-1-(4-ethylphenyl)-N-methyl-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanamine (1S)-1-(4-ethylphenyl)-N-methyl-…
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) | 3.64 | 8.05 | -39.36 | 2 | 3 | 1 | 29 | 291.459 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 5.88 | -2.67 | 1 | 3 | 0 | 24 | 290.451 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.64 | 9.55 | -125.27 | 3 | 3 | 2 | 30 | 292.467 | 5 | ↓ |