In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 12 | 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) | 0.99 | 1.25 | -45.83 | 4 | 2 | 1 | 48 | 186.662 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.99 | 0.93 | -5.11 | 3 | 2 | 0 | 46 | 185.654 | 2 | ↓ |