In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 0.03 | 6.37 | -173.45 | 6 | 5 | 3 | 75 | 226.348 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 3.68 | -41.6 | 4 | 5 | 1 | 73 | 224.332 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 5.85 | -112.74 | 5 | 5 | 2 | 74 | 225.34 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.92 | 3.95 | -87.33 | 6 | 5 | 2 | 76 | 225.34 | 7 | ↓ |