In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 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) | 2.70 | 7.69 | -41.82 | 2 | 2 | 1 | 29 | 227.331 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 6.56 | -4.55 | 1 | 2 | 0 | 25 | 226.323 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 8.16 | -101.36 | 3 | 2 | 2 | 31 | 228.339 | 4 | ↓ |