| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 15 | Yes |
Popular Name: (1R,4S)-1,4-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (1R,4S)-1,4-dimethyl-2,3,4,9-tet…
| 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) | 2.81 | 5.93 | -42.25 | 3 | 2 | 1 | 32 | 201.293 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 4.62 | -4.18 | 2 | 2 | 0 | 28 | 200.285 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
