In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 15 | 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) | 0.88 | 3.17 | -80.75 | 5 | 4 | 2 | 59 | 216.373 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.88 | 2.82 | -94.32 | 5 | 4 | 2 | 59 | 216.373 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.88 | 5.27 | -182.23 | 6 | 4 | 3 | 60 | 217.381 | 9 | ↓ |