In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 30 | 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) | 5.32 | 11.05 | -57.13 | 0 | 5 | -1 | 73 | 451.574 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.77 | 11.04 | -19.65 | 1 | 5 | 0 | 71 | 452.582 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 11.19 | -11.09 | 0 | 5 | 0 | 67 | 452.582 | 5 | ↓ |