In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 25 | 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) | 4.46 | 11.06 | -30.72 | 1 | 3 | 1 | 21 | 332.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 13.28 | -90.46 | 2 | 3 | 2 | 22 | 333.479 | 4 | ↓ |