In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 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) | 2.70 | 9.9 | -98.64 | 2 | 2 | 2 | 9 | 226.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 7.65 | -32.04 | 1 | 2 | 1 | 8 | 225.4 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 7.67 | -32.86 | 1 | 2 | 1 | 8 | 225.4 | 4 | ↓ |