| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2011 | 18 | Yes |
Popular Name: (3R,9aR)-1,1-dimethyl-2,3,4,9a-tetrahydropyrido[3,4-b]indole-3-carboxylic (3R,9aR)-1,1-dimethyl-2,3,4,9a-t…
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| 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) | 0.35 | 5.17 | -62.64 | 3 | 4 | 1 | 71 | 245.302 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | 4.18 | -38.54 | 2 | 4 | 0 | 66 | 244.294 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
