In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 24 | 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) | 2.84 | 6.25 | -46.06 | 2 | 5 | 1 | 56 | 350.439 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 3.99 | -13.52 | 1 | 5 | 0 | 54 | 349.431 | 6 | ↓ |