In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 33 | 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) | 3.67 | 8.06 | -59.11 | 2 | 7 | 1 | 88 | 497.012 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.67 | 6.3 | -21.1 | 1 | 7 | 0 | 87 | 496.004 | 8 | ↓ |