In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2009 | 29 | No |
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) | 3.64 | 8.01 | -9.08 | 0 | 5 | 0 | 56 | 404.853 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 10.86 | -49.72 | 1 | 5 | 1 | 57 | 405.861 | 3 | ↓ |