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) | 2.84 | 6.35 | -11.57 | 0 | 7 | 0 | 70 | 409.438 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 9.33 | -49.5 | 1 | 7 | 1 | 72 | 410.446 | 5 | ↓ |