In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 1.39 | 9.62 | -101.02 | 4 | 8 | 2 | 96 | 510.708 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 9.31 | -63.2 | 3 | 8 | 1 | 95 | 509.7 | 6 | ↓ |