In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 20th, 2006 | 27 | 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) | 4.39 | -3.5 | -19.56 | 1 | 5 | 0 | 63 | 399.541 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.39 | -2.95 | -61.13 | 0 | 5 | -1 | 66 | 398.533 | 4 | ↓ |