In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 29 | 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) | 4.61 | 10.12 | -18.48 | 2 | 5 | 0 | 75 | 421.547 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.07 | 8.88 | -48.22 | 1 | 5 | -1 | 78 | 420.539 | 5 | ↓ |