| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 27th, 2011 | 22 | Yes |
Popular Name: (1S,9aR)-1-(2-chlorophenyl)-6-methoxy-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole (1S,9aR)-1-(2-chlorophenyl)-6-me…
| 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) | 4.01 | 6.62 | -24.82 | 2 | 3 | 1 | 35 | 313.808 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.01 | 7.84 | -102.55 | 3 | 3 | 2 | 40 | 314.816 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
