In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | 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) | 1.83 | 8.25 | -60.29 | 2 | 5 | 1 | 55 | 317.438 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 6.86 | -10.88 | 1 | 5 | 0 | 50 | 316.43 | 3 | ↓ |