In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2008 | 30 | 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) | 2.47 | -5.28 | -25.63 | 1 | 8 | 0 | 110 | 464.443 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.47 | -4.79 | -65.92 | 0 | 8 | -1 | 112 | 463.435 | 6 | ↓ |