In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 29th, 2008 | 27 | No |
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) | 3.07 | 7.3 | -57.06 | 1 | 7 | -1 | 104 | 430.234 | 4 | ↓ |
Ref Reference (pH 7) | 3.07 | 7.68 | -59.82 | 1 | 7 | -1 | 104 | 430.234 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.07 | 8.22 | -92.69 | 0 | 7 | -2 | 107 | 429.226 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.07 | 8.59 | -97.04 | 0 | 7 | -2 | 107 | 429.226 | 4 | ↓ |