In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2011 | 16 | 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) | -2.61 | 6.45 | -31.9 | 2 | 3 | 1 | 29 | 220.34 | 1 | ↓ |
Lo Low (pH 4.5-6) | -2.61 | 7.18 | -98.41 | 3 | 3 | 2 | 30 | 221.348 | 1 | ↓ |
Lo Low (pH 4.5-6) | -2.61 | 6.32 | -81.88 | 3 | 3 | 2 | 31 | 221.348 | 1 | ↓ |