In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2005 | 41 | 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) | 4.74 | -0.53 | -49.82 | 2 | 8 | 1 | 93 | 553.635 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.16 | -0.71 | -57.35 | 1 | 8 | 1 | 90 | 553.635 | 10 | ↓ |