In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 37 | 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) | 5.94 | 14.42 | -76.52 | 1 | 7 | 0 | 87 | 510.675 | 16 | ↓ |
Lo Low (pH 4.5-6) | 5.94 | 13.66 | -49.97 | 2 | 7 | 1 | 84 | 511.683 | 16 | ↓ |