| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 19 | Yes |
Popular Name: (2S,3aR,7aS)-N-(4-pyridylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-(4-pyridylmethyl)…
| 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) | 2.10 | 4.26 | -42.32 | 3 | 4 | 1 | 59 | 260.361 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 3.05 | -10.86 | 2 | 4 | 0 | 54 | 259.353 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 4.7 | -90.99 | 4 | 4 | 2 | 60 | 261.369 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
