In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 26 | 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 | 4.15 | -13.52 | 3 | 6 | 0 | 89 | 347.374 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 4.91 | -52.34 | 2 | 6 | -1 | 92 | 346.366 | 4 | ↓ |