In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 37 | 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) | 3.40 | 10.41 | -80.95 | 2 | 8 | 0 | 104 | 502.567 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 7.88 | -61.66 | 1 | 8 | -1 | 102 | 501.559 | 10 | ↓ |