In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 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) | 5.64 | 17.63 | -111.46 | 2 | 5 | 2 | 30 | 482.116 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.64 | 15.93 | -40.34 | 1 | 5 | 1 | 29 | 481.108 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.64 | 17.99 | -194.34 | 3 | 5 | 3 | 31 | 483.124 | 10 | ↓ |