In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 37 | 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) | 2.28 | 11.29 | -17.78 | 0 | 9 | 0 | 82 | 508.667 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 13.49 | -66.22 | 1 | 9 | 1 | 83 | 509.675 | 9 | ↓ |