In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 32 | 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) | 1.62 | 8.87 | -61.49 | 2 | 10 | 1 | 103 | 459.552 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.65 | -24.29 | 1 | 10 | 0 | 102 | 458.544 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.