In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 28 | 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) | 1.18 | 4.08 | -65.24 | 1 | 8 | -1 | 112 | 386.38 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 4.51 | -14.88 | 2 | 8 | 0 | 109 | 387.388 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 5.05 | -14.08 | 1 | 8 | 0 | 106 | 387.388 | 7 | ↓ |