In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 16 | 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) | 2.80 | 3.64 | -5.84 | 2 | 3 | 0 | 52 | 224.21 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 3.45 | -31.13 | 3 | 3 | 1 | 53 | 225.218 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.