In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 20 | Yes |
Popular Name: 2-bromo-4-fluoro-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzenesulfonamide 2-bromo-4-fluoro-N-[(1S,8R)-2,3,…
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) | 2.45 | 4.86 | -41.02 | 2 | 4 | 1 | 51 | 364.26 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 4.61 | -35.48 | 1 | 4 | 0 | 53 | 363.252 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 2.35 | -6.73 | 1 | 4 | 0 | 49 | 363.252 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.