In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 29 | 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) | 3.15 | 6.6 | -18.74 | 2 | 8 | 0 | 102 | 420.535 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 5.55 | -46.03 | 1 | 8 | -1 | 109 | 419.527 | 10 | ↓ |