In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 34 | 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) | 4.84 | 2.16 | -10.33 | 0 | 8 | 0 | 77 | 456.55 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.84 | 2.47 | -34.13 | 1 | 8 | 1 | 78 | 457.558 | 4 | ↓ |