In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2004 | 32 | Yes |
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) | 4.52 | 13.38 | -18.68 | 1 | 7 | 0 | 82 | 465.604 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.70 | 12.14 | -49.97 | 0 | 7 | -1 | 88 | 464.596 | 8 | ↓ |