In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 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) | 2.23 | 7.46 | -95.99 | 6 | 11 | 0 | 173 | 541.734 | 20 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 6.46 | -62.54 | 5 | 11 | -1 | 169 | 540.726 | 20 | ↓ |