In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 2.73 | 6.27 | -9.43 | 0 | 4 | 0 | 45 | 286.375 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 8.36 | -43.79 | 1 | 4 | 1 | 47 | 287.383 | 5 | ↓ |