In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 35 | 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) | 5.64 | 13.09 | -30.05 | 1 | 7 | 0 | 84 | 492.645 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.83 | 11.12 | -66.32 | 0 | 7 | -1 | 91 | 491.637 | 10 | ↓ |