In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 19 | 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) | 1.61 | 7.42 | -58.16 | 3 | 5 | 1 | 71 | 260.317 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 4.94 | -39.66 | 2 | 5 | 0 | 70 | 259.309 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 7 | -50.99 | 2 | 5 | 0 | 69 | 259.309 | 5 | ↓ |