In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | 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) | 4.16 | 9.21 | -38.42 | 2 | 4 | 1 | 55 | 330.448 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 9.77 | -26.59 | 1 | 4 | 0 | 58 | 329.44 | 2 | ↓ |