In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 34 | 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) | 2.21 | 6.54 | -60.12 | 2 | 9 | 1 | 106 | 490.602 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 4.5 | -22.34 | 1 | 9 | 0 | 105 | 489.594 | 8 | ↓ |