In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 21 | 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) | 4.65 | 8.71 | -12.13 | 1 | 3 | 0 | 42 | 296.757 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 9.09 | -25.76 | 2 | 3 | 1 | 43 | 297.765 | 3 | ↓ |