In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 34 | No |
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) | 3.43 | 7.94 | -58.84 | 1 | 7 | -1 | 89 | 464.586 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 10.2 | -65.64 | 2 | 7 | 0 | 90 | 465.594 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.43 | 9.44 | -48.36 | 3 | 7 | 1 | 87 | 466.602 | 7 | ↓ |