In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2013 | 10 | 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) | 0.39 | 0.78 | -43 | 3 | 2 | 1 | 37 | 158.143 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 0.32 | -4.53 | 2 | 2 | 0 | 35 | 157.135 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.