In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 36 | 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) | 6.73 | 13.11 | -40.73 | 2 | 5 | 1 | 52 | 504.672 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.73 | 10.87 | -10.37 | 1 | 5 | 0 | 51 | 503.664 | 9 | ↓ |