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) | 3.15 | 6.14 | -11.49 | 0 | 7 | 0 | 70 | 411.454 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 9.09 | -49.64 | 1 | 7 | 1 | 72 | 412.462 | 5 | ↓ |