In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 15 | 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) | 1.78 | 1.09 | -10.19 | 3 | 4 | 0 | 72 | 228.317 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.78 | 1.15 | -41.61 | 2 | 4 | -1 | 74 | 227.309 | 3 | ↓ |