In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 11 | 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) | -0.07 | 0.56 | -34.83 | 2 | 3 | 1 | 34 | 158.221 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.07 | -2.58 | -3.83 | 1 | 3 | 0 | 33 | 157.213 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.