In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 18 | 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) | 0.48 | 3.56 | -13.16 | 2 | 7 | 0 | 93 | 252.274 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 2.21 | -39.66 | 1 | 7 | -1 | 96 | 251.266 | 4 | ↓ |