In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | 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) | 3.53 | 5.71 | -8.44 | 0 | 6 | 0 | 55 | 471.351 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 7.99 | -47.69 | 1 | 6 | 1 | 56 | 472.359 | 4 | ↓ |