In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 13 | 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) | 0.85 | 3.1 | -10.14 | 2 | 4 | 0 | 57 | 194.263 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 3.39 | -30.04 | 3 | 4 | 1 | 58 | 195.271 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.