In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 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) | 5.91 | 13.91 | -16.59 | 1 | 6 | 0 | 73 | 504.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.09 | 12.85 | -48.54 | 0 | 6 | -1 | 79 | 503.46 | 7 | ↓ |