In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 33 | 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) | 5.47 | 10.77 | -21.92 | 1 | 8 | 0 | 94 | 474.627 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.29 | 9.3 | -54.21 | 0 | 8 | -1 | 100 | 473.619 | 10 | ↓ |