In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 19 | 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 | 8.75 | -124.39 | 4 | 2 | 2 | 32 | 260.425 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 8.82 | -29.8 | 3 | 2 | 1 | 30 | 259.417 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 7.1 | -44.62 | 3 | 2 | 1 | 31 | 259.417 | 2 | ↓ |