In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 18 | 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) | 2.82 | 6.8 | -40.28 | 2 | 2 | 1 | 20 | 245.39 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 7.53 | -33.78 | 2 | 2 | 1 | 16 | 245.39 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 5.37 | -2.4 | 1 | 2 | 0 | 15 | 244.382 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.82 | 9.02 | -111.17 | 3 | 2 | 2 | 21 | 246.398 | 3 | ↓ |