In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 30 | 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) | 5.15 | -0.51 | -11.6 | 1 | 5 | 0 | 71 | 420.444 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.15 | -0.45 | -36.88 | 2 | 5 | 1 | 72 | 421.452 | 3 | ↓ |