In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 29 | No |
None
None
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) | 4.49 | 9.97 | -39.76 | 2 | 5 | 1 | 64 | 394.491 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.49 | 10.74 | -26.45 | 1 | 5 | 0 | 67 | 393.483 | 4 | ↓ |