In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 0.51 | 4.23 | -44.57 | 3 | 3 | 1 | 40 | 261.389 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.51 | 3.81 | -2.84 | 2 | 3 | 0 | 38 | 260.381 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.51 | 5.98 | -128.93 | 4 | 3 | 2 | 41 | 262.397 | 3 | ↓ |