In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 32 | No |
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) | 4.50 | 9.51 | -41.4 | 2 | 6 | 1 | 65 | 462.01 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.50 | 7.37 | -11.44 | 1 | 6 | 0 | 64 | 461.002 | 12 | ↓ |