In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 27 | 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) | 2.34 | 8.25 | -39.65 | 6 | 8 | 1 | 131 | 369.449 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 8.31 | -19.29 | 5 | 8 | 0 | 129 | 368.441 | 4 | ↓ |