In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 30 | 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) | 2.88 | 6.5 | -37.23 | 6 | 9 | 1 | 137 | 414.486 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 6.47 | -16.51 | 5 | 9 | 0 | 135 | 413.478 | 6 | ↓ |