In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2006 | 23 | 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) | 3.13 | 8.73 | -11.44 | 0 | 5 | 0 | 60 | 340.795 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 9.17 | -44.7 | 1 | 5 | 1 | 61 | 341.803 | 2 | ↓ |