In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2011 | 21 | Yes |
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) | 6.04 | 11.47 | -26.83 | 2 | 2 | 1 | 16 | 287.471 | 4 | ↓ |
Hi High (pH 8-9.5) | 6.04 | 11.32 | -0.99 | 1 | 2 | 0 | 15 | 286.463 | 4 | ↓ |