| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 22 | No |
Popular Name: (1R,4R,9aS)-1-(chloromethyl)-4-(2-chlorophenyl)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole (1R,4R,9aS)-1-(chloromethyl)-4-(…
| 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) | 4.31 | 7.85 | -28.81 | 2 | 2 | 1 | 26 | 332.254 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.31 | 8.99 | -99.57 | 3 | 2 | 2 | 31 | 333.262 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
