In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 16 | 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) | -0.03 | -2.62 | -19.22 | 3 | 6 | 0 | 98 | 244.272 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.03 | -2.59 | -56.43 | 2 | 6 | -1 | 101 | 243.264 | 4 | ↓ |