In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 30 | 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) | 3.69 | 5.75 | -14.24 | 2 | 8 | 0 | 105 | 440.294 | 3 | ↓ |
Ref Reference (pH 7) | 3.50 | 8.49 | -13.27 | 2 | 8 | 0 | 101 | 440.294 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 8.5 | -12.29 | 2 | 8 | 0 | 101 | 440.294 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 5.76 | -13.55 | 2 | 8 | 0 | 105 | 440.294 | 3 | ↓ |