In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | 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) | 2.19 | 3.93 | -50.91 | 3 | 3 | 1 | 40 | 289.802 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 5.33 | -123.69 | 4 | 3 | 2 | 41 | 290.81 | 7 | ↓ |