In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2009 | 47 | 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) | 6.74 | 15.82 | -23.1 | 2 | 8 | 0 | 94 | 620.709 | 9 | ↓ |
Mid Mid (pH 6-8) | 7.20 | 15.87 | -144.27 | 0 | 8 | -2 | 100 | 618.693 | 9 | ↓ |
Mid Mid (pH 6-8) | 7.20 | 14.7 | -18.26 | 2 | 8 | 0 | 95 | 620.709 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.29 | 17.79 | -24.99 | 2 | 8 | 0 | 94 | 620.709 | 9 | ↓ |