In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 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) | 4.18 | 13.49 | -16.14 | 2 | 8 | 0 | 90 | 447.539 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 14.04 | -57.09 | 3 | 8 | 1 | 95 | 448.547 | 7 | ↓ |