In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 32 | 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) | 4.51 | 12.06 | -6.67 | 0 | 4 | 0 | 21 | 439.55 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.51 | 12.46 | -48.98 | 1 | 4 | 1 | 22 | 440.558 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.51 | 14.07 | -51.52 | 1 | 4 | 1 | 22 | 440.558 | 9 | ↓ |