In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 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) | 1.04 | 5.61 | -46.49 | 3 | 3 | 1 | 54 | 239.298 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.04 | 6.07 | -93.31 | 4 | 3 | 2 | 55 | 240.306 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.