In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 25 | 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) | 1.74 | 7.12 | -28.36 | 1 | 7 | 0 | 84 | 380.857 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 5.14 | -64.34 | 0 | 7 | -1 | 91 | 379.849 | 4 | ↓ |