In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 29 | 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) | 1.80 | 3.74 | -58.21 | 5 | 7 | 1 | 107 | 428.46 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 2.38 | -17.15 | 4 | 7 | 0 | 102 | 427.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.