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) | 1.20 | 5.83 | -54.81 | 3 | 8 | 1 | 91 | 510.684 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 8.25 | -110.71 | 4 | 8 | 2 | 93 | 511.692 | 6 | ↓ |