| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 23 | Yes |
Popular Name: (9aR)-2-[(4-isopropylphenyl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (9aR)-2-[(4-isopropylphenyl)meth…
| 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) | 4.92 | 11.61 | -101.48 | 2 | 2 | 2 | 18 | 306.453 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.92 | 9.48 | -25.17 | 1 | 2 | 1 | 17 | 305.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
