In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
None
None
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) | 4.18 | 8.11 | -12.55 | 0 | 7 | 0 | 70 | 479.554 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.18 | 10.97 | -56.73 | 1 | 7 | 1 | 72 | 480.562 | 7 | ↓ |