In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 34 | 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) | 6.15 | 7.92 | -24.88 | 2 | 7 | 0 | 97 | 509.374 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.22 | 5.78 | -68.31 | 1 | 7 | -1 | 103 | 508.366 | 5 | ↓ |