In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 21 | Yes |
Popular Name: (3S)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-[(1S,2R,3S)-2,3-dimethylc…
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) | 2.97 | 8.16 | -42.34 | 3 | 3 | 1 | 46 | 287.427 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 6.81 | -8.35 | 2 | 3 | 0 | 41 | 286.419 | 2 | ↓ |