In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 33 | 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) | 2.48 | 6.39 | -59.61 | 0 | 8 | -1 | 95 | 451.499 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 8.9 | -49.09 | 1 | 8 | 1 | 90 | 453.515 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 9.01 | -49.44 | 2 | 8 | 1 | 94 | 453.515 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 8.72 | -79.05 | 1 | 8 | 0 | 96 | 452.507 | 10 | ↓ |