In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 16 | 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) | 2.29 | 6.72 | -120.71 | 4 | 2 | 2 | 32 | 240.778 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 6.37 | -33.04 | 3 | 2 | 1 | 30 | 239.77 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 4.61 | -45.48 | 3 | 2 | 1 | 31 | 239.77 | 3 | ↓ |