In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 34 | 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) | 1.69 | 8.57 | -51.99 | 3 | 9 | 1 | 101 | 469.61 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 6.18 | -44.89 | 2 | 9 | 0 | 107 | 468.602 | 10 | ↓ |