In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 15 | 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) | 0.15 | 0.4 | -41.04 | 2 | 4 | 1 | 42 | 208.285 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.15 | -0.95 | -5.43 | 1 | 4 | 0 | 37 | 207.277 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.