In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 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) | 1.14 | 4.97 | -8.47 | 1 | 4 | 0 | 45 | 239.278 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.14 | 5.43 | -34.67 | 2 | 4 | 1 | 46 | 240.286 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.