In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 33 | 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) | -0.59 | 4.89 | -75.71 | 4 | 9 | 1 | 125 | 447.519 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 2.3 | -82.64 | 3 | 9 | 0 | 128 | 446.511 | 4 | ↓ |