In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2009 | 31 | No |
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) | -0.31 | 3.37 | -13.68 | 3 | 9 | 0 | 129 | 423.404 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.31 | 2.91 | -42.36 | 2 | 9 | -1 | 128 | 422.396 | 4 | ↓ |