In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 20 | Yes |
Popular Name: (1R,2S)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-3-methyl-1-phenyl-butan-1-amine (1R,2S)-2-[(2R,5R)-2,5-dimethylm…
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) | 1.11 | 4.45 | -46.02 | 3 | 3 | 1 | 40 | 277.432 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 4.08 | -2.08 | 2 | 3 | 0 | 38 | 276.424 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 6.43 | -109.07 | 4 | 3 | 2 | 41 | 278.44 | 4 | ↓ |