In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2011 | 21 | 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) | 0.51 | 6.72 | -83.31 | 3 | 5 | 2 | 48 | 294.443 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.51 | 6.27 | -49.11 | 2 | 5 | 1 | 47 | 293.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.