In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(3-methyl-2-thienyl)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]butan-2-amine (1R,2S)-1-(3-methyl-2-thienyl)-1…
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) | 2.96 | 5.58 | -42.56 | 3 | 3 | 1 | 40 | 297.488 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 5.2 | -2.22 | 2 | 3 | 0 | 38 | 296.48 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 6.99 | -112.39 | 4 | 3 | 2 | 41 | 298.496 | 4 | ↓ |