In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 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) | 2.07 | 2.92 | -33.2 | 3 | 4 | 1 | 49 | 297.463 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 5.12 | -90.64 | 4 | 4 | 2 | 51 | 298.471 | 7 | ↓ |