In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 38 | 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) | 6.13 | 14.9 | -9.04 | 1 | 6 | 0 | 82 | 525.674 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.32 | 13.06 | -43.58 | 0 | 6 | -1 | 89 | 524.666 | 8 | ↓ |