In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 27 | Yes |
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) | 3.69 | 10.11 | -7.63 | 0 | 5 | 0 | 35 | 365.525 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 12.44 | -45.8 | 1 | 5 | 1 | 37 | 366.533 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 10.41 | -32.8 | 1 | 5 | 1 | 37 | 366.533 | 4 | ↓ |