In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 36 | 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) | 4.97 | 10.38 | -15.35 | 2 | 7 | 0 | 88 | 483.568 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 11.29 | -59.13 | 0 | 7 | -1 | 87 | 482.56 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 10.79 | -51.51 | 0 | 7 | -1 | 87 | 482.56 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.97 | 11.24 | -44.02 | 1 | 7 | -1 | 91 | 482.56 | 7 | ↓ |