In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 20 | Yes |
Popular Name: [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(6-quinolyl)methanone [(3aS,6aS)-3,3a,4,5,6,6a-hexahyd…
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) | 1.02 | 5.31 | -45.64 | 2 | 4 | 1 | 50 | 268.34 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 3.89 | -11.32 | 1 | 4 | 0 | 45 | 267.332 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.