In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 31 | 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) | 0.49 | 6.53 | -53.83 | 3 | 9 | 1 | 101 | 427.529 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.68 | 4.13 | -47.14 | 2 | 9 | 0 | 107 | 426.521 | 8 | ↓ |