In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2005 | 25 | 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) | 4.26 | 9.83 | -54.49 | 1 | 6 | -1 | 91 | 335.339 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 10.24 | -72.89 | 2 | 6 | 0 | 93 | 336.347 | 6 | ↓ |