In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 21 | 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) | 2.56 | 8.2 | -16.58 | 1 | 6 | 0 | 99 | 285.234 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 6.68 | -51.04 | 0 | 6 | -1 | 105 | 284.226 | 3 | ↓ |