In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 32 | No |
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) | 4.05 | 8.09 | -60.68 | 1 | 6 | -1 | 90 | 440.491 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 7.34 | -17.38 | 2 | 6 | 0 | 87 | 441.499 | 10 | ↓ |