In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 33 | Yes |
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) | 4.46 | 13.17 | -18.1 | 1 | 8 | 0 | 86 | 446.507 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 13.64 | -41.36 | 2 | 8 | 1 | 87 | 447.515 | 4 | ↓ |