In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 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) | 0.63 | 5.62 | -37.5 | 4 | 8 | 0 | 135 | 438.48 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.63 | 5.07 | -68.56 | 3 | 8 | -1 | 130 | 437.472 | 6 | ↓ |