In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 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) | -0.04 | -1.53 | -8.46 | 3 | 5 | 0 | 81 | 150.141 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.04 | -1.55 | -28.13 | 4 | 5 | 1 | 82 | 151.149 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.