In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 35 | 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) | 5.30 | 13.43 | -40.92 | 1 | 9 | 1 | 90 | 498.991 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.30 | 12.33 | -21.27 | 0 | 9 | 0 | 89 | 497.983 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.30 | 14.09 | -92.14 | 2 | 9 | 2 | 91 | 499.999 | 7 | ↓ |