In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | 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) | 0.92 | 4.15 | -32.79 | 3 | 4 | 1 | 46 | 262.377 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 3.4 | -45.17 | 3 | 4 | 1 | 49 | 262.377 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 2.05 | -7.15 | 2 | 4 | 0 | 44 | 261.369 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.92 | 5.55 | -113.96 | 4 | 4 | 2 | 50 | 263.385 | 4 | ↓ |