In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 23 | 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) | 3.09 | 10.94 | -154.15 | 3 | 4 | 1 | 61 | 311.405 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 7.4 | -50.03 | 1 | 4 | -1 | 55 | 309.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 8.68 | -77.23 | 2 | 4 | 0 | 60 | 310.397 | 5 | ↓ |