In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2007 | 28 | 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) | 4.94 | 9.86 | -10.03 | 2 | 6 | 0 | 80 | 437.352 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 9.52 | -44.23 | 1 | 6 | -1 | 78 | 436.344 | 7 | ↓ |