In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | -1.24 | 6.05 | -121.62 | 4 | 10 | 2 | 110 | 469.59 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.24 | 5.59 | -81.01 | 3 | 10 | 1 | 109 | 468.582 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.24 | 6.37 | -172.31 | 5 | 10 | 3 | 112 | 470.598 | 5 | ↓ |