In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 30 | 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) | 4.18 | 12.33 | -92.36 | 1 | 5 | -1 | 82 | 430.883 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 11.52 | -39.69 | 2 | 5 | 0 | 86 | 431.891 | 6 | ↓ |