In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2009 | 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) | 3.93 | 12.35 | -12.52 | 1 | 6 | 0 | 63 | 450.486 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 12.19 | -47.69 | 0 | 6 | -1 | 60 | 449.478 | 8 | ↓ |