In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 26 | 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) | 5.05 | 11.54 | -30.85 | 1 | 3 | 1 | 21 | 346.498 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.05 | 13.76 | -90.78 | 2 | 3 | 2 | 22 | 347.506 | 4 | ↓ |