In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: (1R,2S)-1-(2-thienyl)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]butan-2-amine (1R,2S)-1-(2-thienyl)-1-[(6S)-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) | 2.58 | 4.99 | -43.16 | 3 | 3 | 1 | 40 | 283.461 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 4.25 | -3.11 | 2 | 3 | 0 | 38 | 282.453 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 6.46 | -113.39 | 4 | 3 | 2 | 41 | 284.469 | 4 | ↓ |