In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 32 | 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) | 4.23 | 9.58 | -11.82 | 1 | 6 | 0 | 75 | 443.528 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 11.85 | -51.19 | 2 | 6 | 1 | 76 | 444.536 | 5 | ↓ |