In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 14 | 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) | 0.95 | 6.47 | -106.41 | 4 | 3 | 2 | 47 | 195.31 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 5.79 | -46.86 | 3 | 3 | 1 | 45 | 194.302 | 2 | ↓ |