| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 21 | Yes |
Popular Name: (3S)-N-(2-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-(2-cyanophenyl)-1,2,3,4-t…
| 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) | 1.99 | 7.04 | -46.59 | 3 | 4 | 1 | 69 | 278.335 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 5.68 | -9.02 | 2 | 4 | 0 | 65 | 277.327 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
