In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 26 | 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) | 1.80 | 6.78 | -58.44 | 3 | 6 | 1 | 80 | 376.502 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 4.46 | -17.03 | 2 | 6 | 0 | 78 | 375.494 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 4.1 | -51.63 | 2 | 6 | 0 | 83 | 375.494 | 7 | ↓ |