In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2007 | 33 | 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) | 4.67 | 1.47 | -53.84 | 2 | 6 | 1 | 71 | 472.005 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 1.31 | -63.1 | 1 | 6 | 1 | 68 | 472.005 | 10 | ↓ |