In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 14 | 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) | 2.83 | 3.44 | -5.95 | 2 | 3 | 0 | 52 | 208.286 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 3.3 | -27.3 | 3 | 3 | 1 | 53 | 209.294 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.