In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 17 | 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) | 1.74 | 5.14 | -42.01 | 2 | 3 | 1 | 23 | 234.367 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 7.5 | -121.41 | 3 | 3 | 2 | 24 | 235.375 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 6.1 | -36.7 | 2 | 3 | 1 | 20 | 234.367 | 5 | ↓ |