In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2011 | 22 | Yes |
Popular Name: 2-[(1S,5R)-8-propyl-8-azabicyclo[3.2.1]oct-3-en-3-yl]-1H-indole-4-carbonitrile 2-[(1S,5R)-8-propyl-8-azabicyclo…
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) | 3.75 | 10.59 | -41.36 | 2 | 3 | 1 | 44 | 292.406 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 8.36 | -7.14 | 1 | 3 | 0 | 43 | 291.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.