In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 20 | Yes |
Popular Name: 2-cyano-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-propyl-pentanamide 2-cyano-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) | 3.02 | 7.23 | -39.25 | 2 | 4 | 1 | 57 | 278.42 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 6.32 | -42.56 | 1 | 4 | 0 | 64 | 277.412 | 6 | ↓ |