In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2009 | 32 | 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) | 4.21 | 14.67 | -10.83 | 0 | 6 | 0 | 54 | 449.624 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 16.61 | -48.07 | 1 | 6 | 1 | 55 | 450.632 | 7 | ↓ |