In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 21 | 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) | 2.05 | 8.39 | -11.97 | 0 | 8 | 0 | 99 | 285.263 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 8.86 | -27.16 | 1 | 8 | 1 | 100 | 286.271 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.