In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 17th, 2007 | 35 | 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) | 2.20 | 5.64 | -55.97 | 0 | 9 | -1 | 116 | 519.983 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 5.8 | -22.51 | 0 | 9 | 0 | 110 | 520.991 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 4.75 | -32.79 | 1 | 9 | 0 | 113 | 520.991 | 7 | ↓ |