In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 36 | 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) | 6.42 | 15.01 | -73.98 | 1 | 6 | 0 | 74 | 557.529 | 14 | ↓ |
Lo Low (pH 4.5-6) | 6.42 | 14.24 | -53.25 | 2 | 6 | 1 | 71 | 558.537 | 14 | ↓ |