In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2013 | 19 | No |
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) | 1.10 | 2.22 | -26.95 | 1 | 8 | 0 | 110 | 285.281 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 3.09 | -73.67 | 2 | 8 | 1 | 111 | 286.289 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.