In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 38 | 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) | 5.86 | 14.24 | -72.03 | 1 | 7 | 0 | 83 | 522.686 | 16 | ↓ |
Mid Mid (pH 6-8) | 6.31 | 13.11 | -57 | 2 | 7 | 1 | 81 | 523.694 | 15 | ↓ |
Mid Mid (pH 6-8) | 5.28 | 14.09 | -56.63 | 1 | 7 | 1 | 77 | 523.694 | 16 | ↓ |