In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 38 | 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) | 2.34 | 10.63 | -104.44 | 4 | 9 | 2 | 101 | 523.726 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 10.16 | -58.11 | 3 | 9 | 1 | 100 | 522.718 | 5 | ↓ |