In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 12th, 2007 | 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) | 4.47 | 9.07 | -56.84 | 0 | 7 | -1 | 82 | 518.417 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.92 | 11.61 | -55.39 | 2 | 7 | 1 | 81 | 520.433 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 11.41 | -76.38 | 1 | 7 | 0 | 83 | 519.425 | 9 | ↓ |