In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 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) | 0.82 | 8.36 | -31.36 | 1 | 9 | 0 | 103 | 471.583 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 7.29 | -68.1 | 0 | 9 | -1 | 109 | 470.575 | 7 | ↓ |