In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 35 | 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) | 3.46 | 9.59 | -59.5 | 0 | 8 | -1 | 97 | 482.553 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.46 | 8.84 | -15.68 | 1 | 8 | 0 | 95 | 483.561 | 13 | ↓ |