In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2014 | 9 | 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) | 0.58 | -0.56 | -5.62 | 1 | 2 | 0 | 23 | 165.283 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.58 | 1.7 | -33.95 | 2 | 2 | 1 | 25 | 166.291 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.