In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 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) | 2.74 | 10.22 | -52.23 | 2 | 6 | -1 | 107 | 419.538 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 8.24 | -15.15 | 3 | 6 | 0 | 104 | 420.546 | 10 | ↓ |