In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2009 | 27 | 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) | 0.80 | 2 | -61.4 | 2 | 9 | 1 | 114 | 420.533 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.80 | -0.53 | -24.11 | 1 | 9 | 0 | 113 | 419.525 | 8 | ↓ |