In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 3.62 | 10.97 | -70.88 | 1 | 7 | 0 | 87 | 440.54 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.62 | 10.14 | -45.16 | 2 | 7 | 1 | 84 | 441.548 | 12 | ↓ |