In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 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) | 4.82 | 10.28 | -28.83 | 2 | 7 | 0 | 87 | 475.496 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.00 | 9.22 | -60.97 | 1 | 7 | -1 | 94 | 474.488 | 5 | ↓ |