In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2010 | 21 | 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) | 6.06 | 9.25 | -39.35 | 3 | 2 | 1 | 37 | 286.439 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.06 | 10 | -31.06 | 2 | 2 | 0 | 40 | 285.431 | 9 | ↓ |