In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 33 | 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) | 2.90 | 9.99 | -49.38 | 2 | 7 | 1 | 68 | 462.586 | 14 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 8.59 | -10.67 | 1 | 7 | 0 | 67 | 461.578 | 14 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 10.83 | -46.78 | 2 | 7 | 1 | 68 | 462.586 | 14 | ↓ |