In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 16 | 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) | 2.74 | 6.06 | -35.55 | 2 | 2 | 1 | 25 | 240.754 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 4.14 | -2.88 | 1 | 2 | 0 | 23 | 239.746 | 2 | ↓ |