In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 28 | 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) | 3.09 | 7.61 | -30.75 | 1 | 8 | 0 | 94 | 402.476 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.27 | 6.54 | -60.31 | 0 | 8 | -1 | 100 | 401.468 | 4 | ↓ |