In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2008 | 20 | 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) | 2.15 | 2.92 | -109.27 | 0 | 6 | -2 | 101 | 310.718 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 2.84 | -57.88 | 1 | 6 | -1 | 99 | 311.726 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 3.36 | -85.51 | 1 | 6 | -1 | 103 | 311.726 | 4 | ↓ |