In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2010 | 42 | 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) | 0.51 | -5.93 | -19.6 | 7 | 14 | 0 | 218 | 592.55 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.51 | -4.94 | -67.34 | 6 | 14 | -1 | 221 | 591.542 | 7 | ↓ |