In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 35 | 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) | -4.34 | -8.45 | -54.29 | 11 | 15 | 1 | 245 | 501.565 | 13 | ↓ |
Hi High (pH 8-9.5) | -4.34 | -8.78 | -19.69 | 10 | 15 | 0 | 244 | 500.557 | 13 | ↓ |