In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 35 | 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) | 2.11 | 2.88 | -20.03 | 4 | 12 | 0 | 177 | 479.449 | 5 | ↓ |
Ref Reference (pH 7) | 2.11 | 3.13 | -20.53 | 4 | 12 | 0 | 177 | 479.449 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 4.05 | -55.81 | 5 | 12 | 1 | 181 | 480.457 | 5 | ↓ |