In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 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) | 5.77 | 10.47 | -10.28 | 2 | 4 | 0 | 62 | 461.656 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.77 | 10.92 | -56.21 | 3 | 4 | 1 | 64 | 462.664 | 5 | ↓ |