In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 31 | 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) | 6.78 | 14.28 | -8.24 | 1 | 4 | 0 | 47 | 417.597 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.78 | 14.83 | -31.22 | 2 | 4 | 1 | 48 | 418.605 | 7 | ↓ |