In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2009 | 16 | 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) | -0.94 | -0.63 | -56.54 | 4 | 5 | 1 | 87 | 244.34 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.94 | -0.17 | -99.74 | 5 | 5 | 2 | 88 | 245.348 | 7 | ↓ |