In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 32 | 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) | 3.74 | -0.96 | -19.38 | 1 | 7 | 0 | 77 | 448.548 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.74 | -0.72 | -41.18 | 2 | 7 | 1 | 79 | 449.556 | 9 | ↓ |