In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 14 | 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) | 0.36 | 4.3 | -89.69 | 5 | 4 | 2 | 69 | 194.282 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.36 | 4.32 | -32.29 | 4 | 4 | 1 | 67 | 193.274 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.36 | 3.91 | -35.61 | 4 | 4 | 1 | 68 | 193.274 | 4 | ↓ |