In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 23 | Yes |
None
None
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) | 2.76 | 3.45 | -15.94 | 2 | 5 | 0 | 61 | 313.401 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 5.82 | -36.77 | 3 | 5 | 1 | 63 | 314.409 | 3 | ↓ |