In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 35 | 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) | 2.83 | -0.02 | -27.13 | 0 | 8 | 0 | 82 | 491.617 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 0.26 | -54.3 | 1 | 8 | 1 | 83 | 492.625 | 9 | ↓ |