In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 34 | 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) | 4.92 | -6.68 | -16.98 | 2 | 8 | 0 | 114 | 494.598 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.92 | -6.1 | -45.5 | 1 | 8 | -1 | 116 | 493.59 | 8 | ↓ |