In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2005 | 29 | 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) | -2.85 | 2.45 | -87.03 | 6 | 9 | 0 | 155 | 468.667 | 16 | ↓ |
Hi High (pH 8-9.5) | -2.85 | 2.13 | -58.43 | 5 | 9 | -1 | 153 | 467.659 | 16 | ↓ |