| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 22 | Yes |
Popular Name: (9aS)-2-[(4-methylsulfanylphenyl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (9aS)-2-[(4-methylsulfanylphenyl…
| 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) | 3.84 | 10.7 | -106.16 | 2 | 2 | 2 | 18 | 310.466 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 8.57 | -27.58 | 1 | 2 | 1 | 17 | 309.458 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
