In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 32 | 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) | 2.52 | 9.44 | -21.52 | 2 | 9 | 0 | 115 | 512.448 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 8.22 | -50.36 | 1 | 9 | -1 | 121 | 511.44 | 8 | ↓ |