In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 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) | 2.53 | 5.9 | -40.16 | 2 | 3 | 1 | 29 | 275.416 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 4.46 | -3.07 | 1 | 3 | 0 | 24 | 274.408 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 8.12 | -87.77 | 3 | 3 | 2 | 30 | 276.424 | 4 | ↓ |