In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 34 | 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) | 6.17 | 12.48 | -58.05 | 0 | 6 | -1 | 79 | 529.451 | 10 | ↓ |
Lo Low (pH 4.5-6) | 6.17 | 11.75 | -12.57 | 1 | 6 | 0 | 76 | 530.459 | 10 | ↓ |