In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 31 | 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) | 3.63 | 10.43 | -54.06 | 0 | 6 | -1 | 83 | 420.416 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.08 | 8.56 | -31.16 | 1 | 6 | 0 | 80 | 421.424 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 9.55 | -20.28 | 0 | 6 | 0 | 77 | 421.424 | 6 | ↓ |