In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2009 | 32 | 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) | 1.88 | 4.39 | -24.06 | 3 | 9 | 0 | 130 | 461.54 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 3.33 | -53.39 | 2 | 9 | -1 | 133 | 460.532 | 9 | ↓ |