In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 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) | 2.38 | 7.15 | -57.49 | 2 | 8 | 1 | 91 | 480.01 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.38 | -23.74 | 1 | 8 | 0 | 90 | 479.002 | 7 | ↓ |