In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 16 | No |
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) | 0.82 | 3.5 | -57.76 | 4 | 6 | 1 | 102 | 219.224 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 3.15 | -16.7 | 3 | 6 | 0 | 101 | 218.216 | 3 | ↓ |