In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 21 | Yes |
Popular Name: (2S)-6-methyl-N-[(1S)-1-(2-pyridyl)ethyl]-2,3-dihydrobenzothiophene-2-carboxamide (2S)-6-methyl-N-[(1S)-1-(2-pyrid…
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) | 2.67 | 8.08 | -8.9 | 1 | 3 | 0 | 42 | 298.411 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 8.42 | -39.75 | 2 | 3 | 1 | 43 | 299.419 | 3 | ↓ |