In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2005 | 24 | Yes |
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) | 2.49 | 4.89 | -48.7 | 3 | 5 | 1 | 63 | 328.388 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 2.54 | -9.7 | 2 | 5 | 0 | 62 | 327.38 | 2 | ↓ |