In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2008 | 28 | 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) | 3.81 | -3.12 | -11.8 | 3 | 6 | 0 | 86 | 415.902 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.81 | -3.01 | -42.65 | 4 | 6 | 1 | 88 | 416.91 | 5 | ↓ |