In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 31 | 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) | 0.79 | -2.46 | -30.5 | 3 | 11 | 0 | 170 | 489.553 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.79 | -2.36 | -66.82 | 2 | 11 | -1 | 172 | 488.545 | 6 | ↓ |