In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 18 | Yes |
Popular Name: 4-amino-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]thiophene-2-sulfonamide 4-amino-N-[(1S,8R)-2,3,5,6,7,8-h…
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) | 0.90 | 0.86 | -41.89 | 4 | 5 | 1 | 77 | 288.418 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.90 | -1.65 | -8.36 | 3 | 5 | 0 | 75 | 287.41 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.90 | 0.71 | -102.12 | 5 | 5 | 2 | 78 | 289.426 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.