In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 33 | 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) | 6.64 | 8.83 | -22.03 | 3 | 6 | 0 | 95 | 479.627 | 7 | ↓ |
Hi High (pH 8-9.5) | 7.10 | 7.59 | -54.73 | 2 | 6 | -1 | 98 | 478.619 | 7 | ↓ |