In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: (3S)-N-ethyl-N-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-ethyl-N-(2-hydroxyethyl)-…
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) | 0.57 | 2.54 | -11.29 | 2 | 4 | 0 | 53 | 248.326 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 4.14 | -38.71 | 3 | 4 | 1 | 57 | 249.334 | 4 | ↓ |