In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 13 | Yes |
Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1,3,4-thiadiazole 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…
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) | 0.89 | 3.23 | -45.38 | 2 | 4 | 1 | 46 | 197.287 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 1.8 | -8.37 | 1 | 4 | 0 | 41 | 196.279 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.