In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 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) | 3.44 | 10.7 | -13.93 | 0 | 5 | 0 | 53 | 439.556 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 11.61 | -34.58 | 1 | 5 | 1 | 55 | 440.564 | 3 | ↓ |