In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | 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) | 4.48 | 11.08 | -18.81 | 1 | 6 | 0 | 77 | 436.562 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.55 | 9.58 | -55.91 | 0 | 6 | -1 | 83 | 435.554 | 3 | ↓ |