In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | 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) | 5.59 | 10.6 | -11.1 | 0 | 6 | 0 | 61 | 471.553 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.59 | 13.46 | -54.16 | 1 | 6 | 1 | 62 | 472.561 | 7 | ↓ |