In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 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) | 2.14 | 8.04 | -51.8 | 0 | 8 | -1 | 108 | 443.464 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 6.75 | -21.28 | 1 | 8 | 0 | 106 | 444.472 | 5 | ↓ |