In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 36 | 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) | 4.05 | 11.01 | -66.04 | 0 | 7 | -1 | 88 | 486.544 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 10.47 | -28.15 | 1 | 7 | 0 | 85 | 487.552 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 11.45 | -21.12 | 0 | 7 | 0 | 82 | 487.552 | 10 | ↓ |