In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 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) | 1.01 | 2.59 | -32.94 | 2 | 3 | 1 | 28 | 201.334 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.01 | 0.33 | -3.26 | 1 | 3 | 0 | 27 | 200.326 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 2.7 | -33.76 | 2 | 3 | 1 | 28 | 201.334 | 5 | ↓ |