In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 21 | 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) | 0.23 | 4.37 | -41.01 | 3 | 6 | 1 | 71 | 294.423 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 6.6 | -101.37 | 4 | 6 | 2 | 72 | 295.431 | 8 | ↓ |