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) | 3.38 | 6.06 | -8.76 | 3 | 3 | 0 | 55 | 255.346 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 6.42 | -22.56 | 4 | 3 | 1 | 56 | 256.354 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.