In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 16 | 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) | -1.04 | 0.87 | -19.94 | 2 | 6 | 0 | 86 | 223.232 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.58 | -1.69 | -55.06 | 1 | 6 | -1 | 89 | 222.224 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.58 | -1.08 | -40.8 | 1 | 6 | -1 | 89 | 222.224 | 1 | ↓ |