In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 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) | 4.70 | 10.04 | -19.34 | 2 | 8 | 0 | 102 | 486.553 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.89 | 8.17 | -47.25 | 1 | 8 | -1 | 109 | 485.545 | 7 | ↓ |