In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2008 | 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) | 2.91 | 8.85 | -99.38 | 2 | 2 | 2 | 9 | 224.392 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 5.39 | -0.08 | 0 | 2 | 0 | 6 | 222.376 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.47 | -33.72 | 1 | 2 | 1 | 8 | 223.384 | 1 | ↓ |