In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 27 | 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) | 4.02 | 10.28 | -7.46 | 1 | 4 | 0 | 51 | 419.955 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 11.2 | -37.75 | 0 | 4 | -1 | 54 | 418.947 | 6 | ↓ |