In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 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) | 3.58 | 7.35 | -19.47 | 1 | 8 | 0 | 89 | 473.624 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 7.42 | -47.93 | 0 | 8 | -1 | 91 | 472.616 | 8 | ↓ |