In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (4S)-N-[(2R)-2-ethylhexyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (4S)-N-[(2R)-2-ethylhexyl]-1,1-d…
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) | 3.36 | 7.23 | -62.08 | 2 | 3 | 1 | 51 | 310.483 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 7.07 | -11.98 | 1 | 3 | 0 | 46 | 309.475 | 7 | ↓ |