In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 1.55 | 7.29 | -89.58 | 3 | 5 | 2 | 49 | 310.438 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 4.7 | -45.83 | 2 | 5 | 1 | 48 | 309.43 | 9 | ↓ |