In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 2.07 | 5.48 | -50.84 | 2 | 8 | 1 | 77 | 460.574 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 3.41 | -10.4 | 1 | 8 | 0 | 76 | 459.566 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 5.45 | -47.03 | 2 | 8 | 1 | 77 | 460.574 | 7 | ↓ |