In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 17 | 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) | 0.88 | 3.84 | -17.76 | 3 | 4 | 0 | 64 | 244.323 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 4.24 | -42.22 | 4 | 4 | 1 | 65 | 245.331 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 4.2 | -49.32 | 4 | 4 | 1 | 65 | 245.331 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 4.59 | -104.97 | 5 | 4 | 2 | 66 | 246.339 | 4 | ↓ |