In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 30 | 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) | 2.09 | 8.26 | -39.37 | 2 | 7 | 1 | 66 | 426.566 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 6.04 | -10.35 | 1 | 7 | 0 | 65 | 425.558 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 10.67 | -90.94 | 3 | 7 | 2 | 67 | 427.574 | 4 | ↓ |