In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 12 | 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) | -0.59 | 4.43 | -59.37 | 2 | 4 | 1 | 67 | 171.22 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.59 | 3.07 | -10.63 | 1 | 4 | 0 | 62 | 170.212 | 7 | ↓ |