In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 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) | 6.36 | 14.83 | -15.79 | 2 | 5 | 0 | 75 | 415.537 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.82 | 13.14 | -59.12 | 1 | 5 | -1 | 78 | 414.529 | 6 | ↓ |