In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 32 | 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) | 2.68 | 6.03 | -52.99 | 2 | 8 | 1 | 105 | 480.632 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 4.87 | -21.81 | 1 | 8 | 0 | 104 | 479.624 | 9 | ↓ |