In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2004 | 23 | No |
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) | 2.23 | 7.56 | -13.02 | 1 | 7 | 0 | 101 | 326.337 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 5.29 | -35.81 | 0 | 7 | -1 | 107 | 325.329 | 4 | ↓ |