In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 16 | Yes |
Popular Name: (3aS,6aS)-1-(1H-imidazol-4-ylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (3aS,6aS)-1-(1H-imidazol-4-ylsul…
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) | -0.34 | 0.78 | -46.66 | 3 | 6 | 1 | 83 | 243.312 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.34 | 0.27 | -52.06 | 2 | 6 | 0 | 81 | 242.304 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.