In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 35 | 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) | 1.77 | 10.1 | -20.97 | 0 | 8 | 0 | 73 | 476.577 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 12.24 | -54.92 | 1 | 8 | 1 | 75 | 477.585 | 7 | ↓ |