In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 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) | 0.72 | 1.35 | -41.38 | 3 | 3 | 1 | 40 | 199.318 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 0.68 | -1.81 | 2 | 3 | 0 | 38 | 198.31 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.72 | 3.09 | -116.35 | 4 | 3 | 2 | 41 | 200.326 | 1 | ↓ |