In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 14 | 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) | 0.55 | 3.01 | -90.2 | 4 | 3 | 2 | 35 | 201.358 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.55 | 0.74 | -42.13 | 3 | 3 | 1 | 34 | 200.35 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 2.49 | -104.92 | 4 | 3 | 2 | 35 | 201.358 | 5 | ↓ |