In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 25 | 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) | 1.56 | 5.43 | -26.13 | 1 | 8 | 0 | 103 | 376.467 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.74 | 4.36 | -54.33 | 0 | 8 | -1 | 109 | 375.459 | 3 | ↓ |