In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 27 | 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) | 1.52 | 4.03 | -65.71 | 1 | 7 | -1 | 103 | 390.799 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.97 | -2.12 | -29.54 | 2 | 7 | 0 | 100 | 391.807 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.94 | -2.11 | -18.31 | 1 | 7 | 0 | 97 | 391.807 | 8 | ↓ |