In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(4-ethylphenyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-amine (1S,2S)-1-(4-ethylphenyl)-2-[(6S…
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) | 1.72 | 6.3 | -45.15 | 3 | 3 | 1 | 40 | 291.459 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 5.66 | -2.43 | 2 | 3 | 0 | 38 | 290.451 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 7.78 | -120.16 | 4 | 3 | 2 | 41 | 292.467 | 4 | ↓ |