In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 20 | Yes |
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) | 1.84 | 5.54 | -51.85 | 1 | 5 | -1 | 86 | 298.384 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 3.56 | -15.4 | 2 | 5 | 0 | 83 | 299.392 | 9 | ↓ |